2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine

C20H34NO2P — CID 11899942

IUPAC2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H34NO2P/c1-15(2)18-13-12-16(3)14-19(18)23-24(22,21-20(4,5)6)17-10-8-7-9-11-17/h7-11,15-16,18-19H,12-14H2,1-6H3,(H,21,22)/t16-,18-,19-,24+/m1/s1
InChIKeyDAJGFDWVRFTHOQ-JQGROFRJSA-N
MW351.47 g/mol
LogP5.37
Rot. Bonds5

About 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine

2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine (PubChem CID 11899942) has the molecular formula C20H34NO2P and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
PubChem CID11899942
Molecular FormulaC20H34NO2P
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Name2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
SMILESCC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H34NO2P/c1-15(2)18-13-12-16(3)14-19(18)23-24(22,21-20(4,5)6)17-10-8-7-9-11-17/h7-11,15-16,18-19H,12-14H2,1-6H3,(H,21,22)/t16-,18-,19-,24+/m1/s1
InChIKeyDAJGFDWVRFTHOQ-JQGROFRJSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]propan-2-amine
CID 3577659
N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11907532
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine
CID 11909076
N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]butan-1-amine
CID 46702321
N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine
CID 129470795
4-ethoxy-N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]aniline
CID 11864676
4-ethoxy-N-[[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]aniline
CID 11914102
N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1,3-thiazol-2-amine
CID 11914617
1,4-bis[[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]oxy]benzene
CID 102226548
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11617205

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine (CID 11899942) is 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine is CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
The InChIKey is DAJGFDWVRFTHOQ-JQGROFRJSA-N. The full InChI is InChI=1S/C20H34NO2P/c1-15(2)18-13-12-16(3)14-19(18)23-24(22,21-20(4,5)6)17-10-8-7-9-11-17/h7-11,15-16,18-19H,12-14H2,1-6H3,(H,21,22)/t16-,18-,19-,24+/m1/s1.
What are the key properties of 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine has a molecular weight of 351.47 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine is sourced from PubChem (CID 11899942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).