(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine

C32H29NP2 — CID 11225572

IUPAC(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
SMILESC[C@@H](c1ccccc1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29NP2/c1-27(28-17-7-2-8-18-28)33(34(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3/t27-/m0/s1
InChIKeyGYHSCFVRAMOHIY-MHZLTWQESA-N
MW489.54 g/mol
LogP7.15
Rot. Bonds8

About (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine

(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine (PubChem CID 11225572) has the molecular formula C32H29NP2 and a molecular weight of 489.54 g/mol. Its IUPAC name is (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
PubChem CID11225572
Molecular FormulaC32H29NP2
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC Name(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
SMILESC[C@@H](c1ccccc1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29NP2/c1-27(28-17-7-2-8-18-28)33(34(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3/t27-/m0/s1
InChIKeyGYHSCFVRAMOHIY-MHZLTWQESA-N
XLogP7.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.54
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
CID 22215677
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine
CID 129083275
(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 102294880
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N-diethoxyphosphanyl-N-diphenylphosphanylpropan-2-amine
CID 147294566
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
N-diphenylphosphanyl-N-[[ethyl(methyl)amino]-phenylphosphanyl]propan-2-amine
CID 121401614
N-ethyl-N-methylsulfanyl-1-phenylethanamine
CID 123514659
4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
CID 67775594

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
The IUPAC name of (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine (CID 11225572) is (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine.
What is the SMILES notation for (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
The canonical SMILES for (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine is C[C@@H](c1ccccc1)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
The InChIKey is GYHSCFVRAMOHIY-MHZLTWQESA-N. The full InChI is InChI=1S/C32H29NP2/c1-27(28-17-7-2-8-18-28)33(34(29-19-9-3-10-20-29)30-21-11-4-12-22-30)35(31-23-13-5-14-24-31)32-25-15-6-16-26-32/h2-27H,1H3/t27-/m0/s1.
What are the key properties of (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine?
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine has a molecular weight of 489.54 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine is sourced from PubChem (CID 11225572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).