(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine

C22H24NP — CID 22215677

IUPAC(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
SMILESCCN([C@@H](C)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NP/c1-3-23(19(2)20-13-7-4-8-14-20)24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/t19-/m0/s1
InChIKeyRFZQRSJJXVNEJW-IBGZPJMESA-N
MW333.42 g/mol
LogP5.12
Rot. Bonds6

About (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine

(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine (PubChem CID 22215677) has the molecular formula C22H24NP and a molecular weight of 333.42 g/mol. Its IUPAC name is (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
PubChem CID22215677
Molecular FormulaC22H24NP
Molecular Weight333.42 g/mol
Exact Mass333.16
IUPAC Name(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
SMILESCCN([C@@H](C)c1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24NP/c1-3-23(19(2)20-13-7-4-8-14-20)24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/t19-/m0/s1
InChIKeyRFZQRSJJXVNEJW-IBGZPJMESA-N
XLogP5.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.12
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,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
CID 11788031
CID 11788031
1-N-[4-[bis(diphenylphosphanyl)amino]pentyl]-7-N,7-N-bis(diphenylphosphanyl)-1-N-ethyl-4-methyloctane-1,7-diamine
CID 129083275
N-ethyl-N-methylsulfanyl-1-phenylethanamine
CID 123514659
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
N-diphenylphosphanyl-N-[[10-[[diphenylphosphanyl(ethyl)amino]methyl]anthracen-9-yl]methyl]ethanamine
CID 101046937
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1S)-N-diphenylphosphanyl-1-phenyl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 102294880
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
N-diphenylphosphanyl-N-[[ethyl(methyl)amino]-phenylphosphanyl]propan-2-amine
CID 121401614
1-cyclopentyl-N,N-bis(diphenylphosphanyl)propan-2-amine
CID 171935004
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906

Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine?
The IUPAC name of (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine (CID 22215677) is (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine.
What is the SMILES notation for (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine?
The canonical SMILES for (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine is CCN([C@@H](C)c1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine?
The InChIKey is RFZQRSJJXVNEJW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24NP/c1-3-23(19(2)20-13-7-4-8-14-20)24(21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-19H,3H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine?
(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine has a molecular weight of 333.42 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 22215677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).