(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one

C18H23NO — CID 160648144

IUPAC(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.CC[C@H](N)c1ccccc1
InChIInChI=1S/C9H13N.C9H10O/c2*1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3;3-7H,2H2,1H3/t9-;/m0./s1
InChIKeyRKBHKPGLNKHJPQ-FVGYRXGTSA-N
MW269.39 g/mol
LogP4.38
Rot. Bonds4

About (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one

(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one (PubChem CID 160648144) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one.

Molecular Properties

Compound Name(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
PubChem CID160648144
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.CC[C@H](N)c1ccccc1
InChIInChI=1S/C9H13N.C9H10O/c2*1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3;3-7H,2H2,1H3/t9-;/m0./s1
InChIKeyRKBHKPGLNKHJPQ-FVGYRXGTSA-N
XLogP4.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl(111C)propan-1-one
CID 11159350
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
2-hydroxy-1,2-diphenylethanone;1-phenylpropan-1-one
CID 174848942
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
4-amino-1,4-diphenylbutan-1-one
CID 116570833
(E)-but-2-enedioic acid;1-phenylpropan-1-one
CID 172758330
(3R)-1,3-diphenylpentan-1-one
CID 11042799
2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one?
The IUPAC name of (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one (CID 160648144) is (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one.
What is the SMILES notation for (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one?
The canonical SMILES for (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one is CCC(=O)c1ccccc1.CC[C@H](N)c1ccccc1.
What is the InChIKey of (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one?
The InChIKey is RKBHKPGLNKHJPQ-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13N.C9H10O/c2*1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2,10H2,1H3;3-7H,2H2,1H3/t9-;/m0./s1.
What are the key properties of (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one?
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one has a molecular weight of 269.39 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one is sourced from PubChem (CID 160648144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).