(1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine

C19H26NO3P — CID 10760061

IUPAC(1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine
SMILESCOP(=O)(OC)[C@@H](NC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C19H26NO3P/c1-15(2)19(24(21,22-3)23-4)20-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-20H,1-4H3/t19-/m1/s1
InChIKeyWXZMUMKKOVQCIE-LJQANCHMSA-N
MW347.40 g/mol
LogP4.83
Rot. Bonds8

About (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine

(1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine (PubChem CID 10760061) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine
PubChem CID10760061
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC Name(1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine
SMILESCOP(=O)(OC)[C@@H](NC(c1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C19H26NO3P/c1-15(2)19(24(21,22-3)23-4)20-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-20H,1-4H3/t19-/m1/s1
InChIKeyWXZMUMKKOVQCIE-LJQANCHMSA-N
XLogP4.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.83
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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[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
CID 6430604
N-Ethyl-alpha-phenylbenzeneethanamine
CID 110821
{2-[5-(4-Nonyl-phenyl)-pyrrolidin-2-yl]-ethyl}-phosphonic acid
CID 44394191
[(1S,3S)-3-(4-Nonyl-benzylamino)-cyclohexyl]-phosphonic acid
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Alpha-benzylaminobenzylphosphonic acid
CID 4469578

Frequently Asked Questions

What is the IUPAC name of (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine?
The IUPAC name of (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine (CID 10760061) is (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine.
What is the SMILES notation for (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine?
The canonical SMILES for (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine is COP(=O)(OC)[C@@H](NC(c1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine?
The InChIKey is WXZMUMKKOVQCIE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26NO3P/c1-15(2)19(24(21,22-3)23-4)20-18(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-20H,1-4H3/t19-/m1/s1.
What are the key properties of (1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine?
(1R)-N-benzhydryl-1-dimethoxyphosphoryl-2-methylpropan-1-amine has a molecular weight of 347.40 g/mol, XLogP of 4.83, 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-dimethoxyphosphoryl-2-methylpropan-1-amine is sourced from PubChem (CID 10760061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).