(1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine

C18H24NO3P — CID 10640385

IUPAC(1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine
SMILESCC[C@H](NC(c1ccccc1)c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C18H24NO3P/c1-4-17(23(20,21-2)22-3)19-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-19H,4H2,1-3H3/t17-/m1/s1
InChIKeyLDBBCIPRXZWCJL-QGZVFWFLSA-N
MW333.37 g/mol
LogP4.59
Rot. Bonds8

About (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine

(1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine (PubChem CID 10640385) has the molecular formula C18H24NO3P and a molecular weight of 333.37 g/mol. Its IUPAC name is (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine
PubChem CID10640385
Molecular FormulaC18H24NO3P
Molecular Weight333.37 g/mol
Exact Mass333.15
IUPAC Name(1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine
SMILESCC[C@H](NC(c1ccccc1)c1ccccc1)P(=O)(OC)OC
InChIInChI=1S/C18H24NO3P/c1-4-17(23(20,21-2)22-3)19-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-19H,4H2,1-3H3/t17-/m1/s1
InChIKeyLDBBCIPRXZWCJL-QGZVFWFLSA-N
XLogP4.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Alpha-Benzyl-Aminobenzyl-Phosphonic Acid
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[3-(4-Octyl-benzylamino)-propyl]-phosphonic acid
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{3-[(4''-Hexyl-biphenyl-4-ylmethyl)-amino]-propyl}-phosphonic acid
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alpha-methyl-N-(1-phenylethyl)-benzenethanamine
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(Phenyl-phenylamino-methyl)-phosphonic acid dimethyl ester
CID 602688
1,2-Diphenylethyl-N-methylamine
CID 110986
N-benzyl-1-phenylethylamine
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(+)-Benzylphenethylamine
CID 1268086

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine?
The IUPAC name of (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine (CID 10640385) is (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine.
What is the SMILES notation for (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine?
The canonical SMILES for (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine is CC[C@H](NC(c1ccccc1)c1ccccc1)P(=O)(OC)OC.
What is the InChIKey of (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine?
The InChIKey is LDBBCIPRXZWCJL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24NO3P/c1-4-17(23(20,21-2)22-3)19-18(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14,17-19H,4H2,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine?
(1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine has a molecular weight of 333.37 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-benzhydryl-1-dimethoxyphosphorylpropan-1-amine is sourced from PubChem (CID 10640385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).