2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine

C14H23ClNO2P — CID 10335157

IUPAC2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine
SMILESCC(C)COP(C)(=O)CC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClNO2P/c1-11(2)9-18-19(3,17)10-13(8-16)12-4-6-14(15)7-5-12/h4-7,11,13H,8-10,16H2,1-3H3
InChIKeyURDAVIMWMRVWOT-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.96
Rot. Bonds7

About 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine

2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine (PubChem CID 10335157) has the molecular formula C14H23ClNO2P and a molecular weight of 303.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine
PubChem CID10335157
Molecular FormulaC14H23ClNO2P
Molecular Weight303.77 g/mol
Exact Mass303.12
IUPAC Name2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine
SMILESCC(C)COP(C)(=O)CC(CN)c1ccc(Cl)cc1
InChIInChI=1S/C14H23ClNO2P/c1-11(2)9-18-19(3,17)10-13(8-16)12-4-6-14(15)7-5-12/h4-7,11,13H,8-10,16H2,1-3H3
InChIKeyURDAVIMWMRVWOT-UHFFFAOYSA-N
XLogP3.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-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

2-(4-chlorophenyl)-5-methylhexan-1-amine
CID 67949275
[(2R)-3-amino-2-(4-chlorophenyl)propyl]-(diethoxymethyl)phosphinic acid
CID 23928163
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
(5S)-6-amino-5-(4-chlorophenyl)-2-methylhexan-3-one
CID 159651143
2-(4-chlorophenyl)-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591582
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)-3-trimethylsilylpropan-1-amine
CID 106323760
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
2-(4-chlorophenyl)-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine
CID 79441588
2-(4-chlorophenyl)-4-pyrrolidin-1-ylbutan-1-amine;hydrochloride
CID 53487609
2-(4-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361887
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine (CID 10335157) is 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine is CC(C)COP(C)(=O)CC(CN)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine?
The InChIKey is URDAVIMWMRVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClNO2P/c1-11(2)9-18-19(3,17)10-13(8-16)12-4-6-14(15)7-5-12/h4-7,11,13H,8-10,16H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine?
2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine has a molecular weight of 303.77 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[methyl(2-methylpropoxy)phosphoryl]propan-1-amine is sourced from PubChem (CID 10335157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).