(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine

C17H22NP — CID 15145880

IUPAC(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NP/c1-14(2)17(18)13-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,18H2,1-2H3/t17-/m1/s1
InChIKeyZZLCXURCZWQECA-QGZVFWFLSA-N
MW271.34 g/mol
LogP3.10
Rot. Bonds5

About (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine

(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine (PubChem CID 15145880) has the molecular formula C17H22NP and a molecular weight of 271.34 g/mol. Its IUPAC name is (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine
PubChem CID15145880
Molecular FormulaC17H22NP
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H22NP/c1-14(2)17(18)13-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,18H2,1-2H3/t17-/m1/s1
InChIKeyZZLCXURCZWQECA-QGZVFWFLSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-diphenylphosphanyl-3,3-dimethylbutan-2-amine
CID 10731871
2-diphenylphosphanyl-1-trimethylsilylethanamine
CID 174337828
[(2R)-1-diphenylphosphanylpropan-2-yl]-diphenylphosphane
CID 2724539
2-methoxypropyl(diphenyl)phosphane
CID 23413688
[(2S)-2-methoxypropyl]-diphenylphosphane
CID 10658854
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
CID 101090022
(2S)-1-diphenylphosphanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 101430602
(2R)-3-methyl-1-phenylbutan-2-amine
CID 11390020
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]methanesulfonamide
CID 11725380
N,N'-bis[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]butanediamide
CID 11814191
N'-(1-diphenylphosphanyl-3-methylbutan-2-yl)-N,N-dimethylmethanimidamide
CID 23420494
N-[(2S)-1-diphenylphosphanyl-3-methylbutan-2-yl]benzamide
CID 154702963

Frequently Asked Questions

What is the IUPAC name of (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine (CID 15145880) is (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine is CC(C)[C@H](N)CP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine?
The InChIKey is ZZLCXURCZWQECA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22NP/c1-14(2)17(18)13-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17H,13,18H2,1-2H3/t17-/m1/s1.
What are the key properties of (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine?
(2S)-1-diphenylphosphanyl-3-methylbutan-2-amine has a molecular weight of 271.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-diphenylphosphanyl-3-methylbutan-2-amine is sourced from PubChem (CID 15145880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).