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

C23H32NO2P — CID 11909076

IUPACN-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NO2P/c1-18(2)22-15-14-19(3)16-23(22)26-27(25,21-12-8-5-9-13-21)24-17-20-10-6-4-7-11-20/h4-13,18-19,22-23H,14-17H2,1-3H3,(H,24,25)/t19-,22+,23-,27+/m1/s1
InChIKeyHJIGZBPJUFYJDC-KDKQAMIGSA-N
MW385.49 g/mol
LogP5.77
Rot. Bonds7

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

N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine (PubChem CID 11909076) has the molecular formula C23H32NO2P and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine
PubChem CID11909076
Molecular FormulaC23H32NO2P
Molecular Weight385.49 g/mol
Exact Mass385.22
IUPAC NameN-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NO2P/c1-18(2)22-15-14-19(3)16-23(22)26-27(25,21-12-8-5-9-13-21)24-17-20-10-6-4-7-11-20/h4-13,18-19,22-23H,14-17H2,1-3H3,(H,24,25)/t19-,22+,23-,27+/m1/s1
InChIKeyHJIGZBPJUFYJDC-KDKQAMIGSA-N
XLogP5.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

N-[[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-pyridin-3-ylmethanamine
CID 25358059
N-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]butan-1-amine
CID 46702321
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
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
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]methylbenzene
CID 102262705
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,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]pyridin-2-amine
CID 129470795
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,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine?
The IUPAC name of N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine (CID 11909076) is N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine.
What is the SMILES notation for N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine?
The canonical SMILES for N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine?
The InChIKey is HJIGZBPJUFYJDC-KDKQAMIGSA-N. The full InChI is InChI=1S/C23H32NO2P/c1-18(2)22-15-14-19(3)16-23(22)26-27(25,21-12-8-5-9-13-21)24-17-20-10-6-4-7-11-20/h4-13,18-19,22-23H,14-17H2,1-3H3,(H,24,25)/t19-,22+,23-,27+/m1/s1.
What are the key properties of N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine?
N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine has a molecular weight of 385.49 g/mol, XLogP of 5.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]-1-phenylmethanamine is sourced from PubChem (CID 11909076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).