(1S)-1-phenyl-N-propan-2-ylpropan-1-amine

C12H19N — CID 14387504

IUPAC(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC[C@H](NC(C)C)c1ccccc1
InChIInChI=1S/C12H19N/c1-4-12(13-10(2)3)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t12-/m0/s1
InChIKeyUIRHNVZMIFRCLF-LBPRGKRZSA-N
MW177.29 g/mol
LogP3.14
Rot. Bonds4

About (1S)-1-phenyl-N-propan-2-ylpropan-1-amine

(1S)-1-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 14387504) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (1S)-1-phenyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID14387504
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC[C@H](NC(C)C)c1ccccc1
InChIInChI=1S/C12H19N/c1-4-12(13-10(2)3)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t12-/m0/s1
InChIKeyUIRHNVZMIFRCLF-LBPRGKRZSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
(1S)-N-iodo-1-phenylpropan-1-amine
CID 87207146
5-methylidene-7-phenyl-7-(propan-2-ylamino)heptan-3-ol
CID 10923316
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81351883
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of (1S)-1-phenyl-N-propan-2-ylpropan-1-amine (CID 14387504) is (1S)-1-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for (1S)-1-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for (1S)-1-phenyl-N-propan-2-ylpropan-1-amine is CC[C@H](NC(C)C)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is UIRHNVZMIFRCLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N/c1-4-12(13-10(2)3)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-phenyl-N-propan-2-ylpropan-1-amine?
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 14387504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).