N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine

C17H27ClNO3P — CID 50878178

IUPACN-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine
SMILESCCOP(=O)(OCC)C(NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClNO3P/c1-3-21-23(20,22-4-2)17(14-10-12-15(18)13-11-14)19-16-8-6-5-7-9-16/h10-13,16-17,19H,3-9H2,1-2H3
InChIKeyHXEANZFZHCQFHA-UHFFFAOYSA-N
MW359.83 g/mol
LogP5.53
Rot. Bonds8

About N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine

N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine (PubChem CID 50878178) has the molecular formula C17H27ClNO3P and a molecular weight of 359.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine
PubChem CID50878178
Molecular FormulaC17H27ClNO3P
Molecular Weight359.83 g/mol
Exact Mass359.14
IUPAC NameN-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine
SMILESCCOP(=O)(OCC)C(NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H27ClNO3P/c1-3-21-23(20,22-4-2)17(14-10-12-15(18)13-11-14)19-16-8-6-5-7-9-16/h10-13,16-17,19H,3-9H2,1-2H3
InChIKeyHXEANZFZHCQFHA-UHFFFAOYSA-N
XLogP5.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.83
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine 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-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
5-chloro-N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]pyridin-2-amine
CID 12643259
N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
N-[bis(4-chlorophenyl)methyl]cyclohexanamine
CID 97355554
(R)-(4-chlorophenyl)-diethoxyphosphorylmethanamine
CID 2313111
N-[bis(4-chlorophenyl)methyl]cyclohexanamine;hydrochloride
CID 117067004
1-[(1S)-1-cyclohexylethyl]-3-[diethoxyphosphoryl(phenyl)methyl]thiourea
CID 25223659
4-[(R)-(4-chloroanilino)-diethoxyphosphorylmethyl]phenol;N,N-dimethylformamide
CID 139086862
ethyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146254
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
2-(4-chlorophenyl)-2-(cyclopentylamino)acetic acid
CID 54894372
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine?
The IUPAC name of N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine (CID 50878178) is N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine?
The canonical SMILES for N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine is CCOP(=O)(OCC)C(NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine?
The InChIKey is HXEANZFZHCQFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClNO3P/c1-3-21-23(20,22-4-2)17(14-10-12-15(18)13-11-14)19-16-8-6-5-7-9-16/h10-13,16-17,19H,3-9H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine?
N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine has a molecular weight of 359.83 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]cyclohexanamine is sourced from PubChem (CID 50878178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).