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

C19H32NO2P — CID 11907532

IUPACN-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
SMILESCC(C)N[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1
InChIInChI=1S/C19H32NO2P/c1-14(2)18-12-11-16(5)13-19(18)22-23(21,20-15(3)4)17-9-7-6-8-10-17/h6-10,14-16,18-19H,11-13H2,1-5H3,(H,20,21)/t16-,18+,19+,23-/m0/s1
InChIKeyADULCGJWFWMRGU-YIKPNSEUSA-N
MW337.44 g/mol
LogP4.98
Rot. Bonds6

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

N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine (PubChem CID 11907532) has the molecular formula C19H32NO2P and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine.

Molecular Properties

Compound NameN-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
PubChem CID11907532
Molecular FormulaC19H32NO2P
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC NameN-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
SMILESCC(C)N[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1
InChIInChI=1S/C19H32NO2P/c1-14(2)18-12-11-16(5)13-19(18)22-23(21,20-15(3)4)17-9-7-6-8-10-17/h6-10,14-16,18-19H,11-13H2,1-5H3,(H,20,21)/t16-,18+,19+,23-/m0/s1
InChIKeyADULCGJWFWMRGU-YIKPNSEUSA-N
XLogP4.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

N-[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]propan-2-amine
CID 3577659
2-methyl-N-[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine
CID 11899942
[[(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
[cyclopentyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 11617205
[cyclohexyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]benzene
CID 139080801
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

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
The IUPAC name of N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine (CID 11907532) is N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine.
What is the SMILES notation for N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
The canonical SMILES for N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine is CC(C)N[P@@](=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)c1ccccc1.
What is the InChIKey of N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
The InChIKey is ADULCGJWFWMRGU-YIKPNSEUSA-N. The full InChI is InChI=1S/C19H32NO2P/c1-14(2)18-12-11-16(5)13-19(18)22-23(21,20-15(3)4)17-9-7-6-8-10-17/h6-10,14-16,18-19H,11-13H2,1-5H3,(H,20,21)/t16-,18+,19+,23-/m0/s1.
What are the key properties of N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine?
N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine has a molecular weight of 337.44 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]propan-2-amine is sourced from PubChem (CID 11907532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).