(2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine

C14H24NOP — CID 174273124

IUPAC(2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine
SMILESCCCP(Cc1ccccc1)[C@](C)(N)COC
InChIInChI=1S/C14H24NOP/c1-4-10-17(14(2,15)12-16-3)11-13-8-6-5-7-9-13/h5-9H,4,10-12,15H2,1-3H3/t14-,17?/m0/s1
InChIKeyFGJSYFSUMUDCJM-MBIQTGHCSA-N
MW253.33 g/mol
LogP3.40
Rot. Bonds7

About (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine

(2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine (PubChem CID 174273124) has the molecular formula C14H24NOP and a molecular weight of 253.33 g/mol. Its IUPAC name is (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine
PubChem CID174273124
Molecular FormulaC14H24NOP
Molecular Weight253.33 g/mol
Exact Mass253.16
IUPAC Name(2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine
SMILESCCCP(Cc1ccccc1)[C@](C)(N)COC
InChIInChI=1S/C14H24NOP/c1-4-10-17(14(2,15)12-16-3)11-13-8-6-5-7-9-13/h5-9H,4,10-12,15H2,1-3H3/t14-,17?/m0/s1
InChIKeyFGJSYFSUMUDCJM-MBIQTGHCSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-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

2,2-dimethylpropylbenzene;1-methoxy-2,2-dimethylpropane;methoxymethane
CID 160968956
benzyl-methyl-propylphosphane
CID 13024967
benzyl-bromo-propylphosphane
CID 139995622
(1,4-dimethoxy-2,3-dimethyl-3-phenylbutan-2-yl)benzene
CID 131848966
1-N-benzyl-1-N-ethyl-3-methoxy-2-methylpropane-1,2-diamine
CID 131049038
ethylbenzene;2-methylpropan-2-amine
CID 142271167
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989
2-benzyl-3-methoxy-2-phenylpropan-1-amine
CID 139652108
3-methoxy-2,2-dimethyl-1-phenylpropan-1-amine
CID 121314723
[3-methoxy-2-(methoxymethyl)-2-methylpropoxy]methylbenzene
CID 166487361
ethyl 2-(benzylamino)-3-methoxy-2-methylpropanoate
CID 62534926
N-benzyl-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 71604916

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine?
The IUPAC name of (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine (CID 174273124) is (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine is CCCP(Cc1ccccc1)[C@](C)(N)COC.
What is the InChIKey of (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine?
The InChIKey is FGJSYFSUMUDCJM-MBIQTGHCSA-N. The full InChI is InChI=1S/C14H24NOP/c1-4-10-17(14(2,15)12-16-3)11-13-8-6-5-7-9-13/h5-9H,4,10-12,15H2,1-3H3/t14-,17?/m0/s1.
What are the key properties of (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine?
(2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine has a molecular weight of 253.33 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl(propyl)phosphanyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 174273124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).