1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride

C17H29ClNO3P — CID 68622113

IUPAC1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride
SMILESCl.NCC(O)CP(=O)(CC1CCCCC1)OCc1ccccc1
InChIInChI=1S/C17H28NO3P.ClH/c18-11-17(19)14-22(20,13-16-9-5-2-6-10-16)21-12-15-7-3-1-4-8-15;/h1,3-4,7-8,16-17,19H,2,5-6,9-14,18H2;1H
InChIKeyISRGMCDVXFDUKH-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.80
Rot. Bonds8

About 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride

1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride (PubChem CID 68622113) has the molecular formula C17H29ClNO3P and a molecular weight of 361.85 g/mol. Its IUPAC name is 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride
PubChem CID68622113
Molecular FormulaC17H29ClNO3P
Molecular Weight361.85 g/mol
Exact Mass361.16
IUPAC Name1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride
SMILESCl.NCC(O)CP(=O)(CC1CCCCC1)OCc1ccccc1
InChIInChI=1S/C17H28NO3P.ClH/c18-11-17(19)14-22(20,13-16-9-5-2-6-10-16)21-12-15-7-3-1-4-8-15;/h1,3-4,7-8,16-17,19H,2,5-6,9-14,18H2;1H
InChIKeyISRGMCDVXFDUKH-UHFFFAOYSA-N
XLogP3.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride 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

tert-butyl N-[(2R)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]carbamate
CID 68622142
benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68622018
benzyl N-[1-[[1-[[3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 68622019
cyclohexylmethyl-[2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 68719250
(2R)-1-amino-3-[cyclohexylmethyl(methyl)phosphoryl]propan-2-ol
CID 59011201
benzyl 2-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006824
benzyl (2S)-5-amino-2-(cyclohexylmethyl)-3-hydroxypent-4-enoate
CID 70043914
(3S)-3-(cyclohexylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 59364557
benzyl (3S)-3-amino-4-cyclohexyl-2-oxobutanoate
CID 175973508
N-cyclohexylcyclohexanamine;2-[phenylmethoxy(phenylmethoxymethyl)phosphoryl]acetic acid
CID 154733801
[cyclohexylmethyl(phenyl)phosphoryl]benzene
CID 11120069
cyclohexyl(phenylmethoxy)methanol
CID 54334195

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride?
The IUPAC name of 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride (CID 68622113) is 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride is Cl.NCC(O)CP(=O)(CC1CCCCC1)OCc1ccccc1.
What is the InChIKey of 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride?
The InChIKey is ISRGMCDVXFDUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28NO3P.ClH/c18-11-17(19)14-22(20,13-16-9-5-2-6-10-16)21-12-15-7-3-1-4-8-15;/h1,3-4,7-8,16-17,19H,2,5-6,9-14,18H2;1H.
What are the key properties of 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride?
1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride has a molecular weight of 361.85 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]propan-2-ol;hydrochloride is sourced from PubChem (CID 68622113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).