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

C9H14ClN — CID 44542268

IUPAC(1S)-1-phenylpropan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H13N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9H,2,10H2,1H3;1H/t9-;/m0./s1
InChIKeyGRVMJKAAXNELJW-FVGYRXGTSA-N
MW171.67 g/mol
LogP2.52
Rot. Bonds2

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

(1S)-1-phenylpropan-1-amine;hydrochloride (PubChem CID 44542268) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is (1S)-1-phenylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-phenylpropan-1-amine;hydrochloride
PubChem CID44542268
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name(1S)-1-phenylpropan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccccc1.Cl
InChIInChI=1S/C9H13N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9H,2,10H2,1H3;1H/t9-;/m0./s1
InChIKeyGRVMJKAAXNELJW-FVGYRXGTSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-phenylpropan-1-amine;1-phenylpropan-1-amine
CID 159334217
(1S)-1-(4-benzylphenyl)propan-1-amine
CID 79018348
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
(1S)-1-phenylpropan-1-amine;1-phenylpropan-1-one
CID 160648144
1-phenylhexan-1-amine;hydrochloride
CID 3033249
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
(1R)-3-methyl-1-phenylbutan-1-amine
CID 2496575
(1S,2R)-1-phenylbutane-1,2-diamine
CID 10702186

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenylpropan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-phenylpropan-1-amine;hydrochloride (CID 44542268) is (1S)-1-phenylpropan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-phenylpropan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-phenylpropan-1-amine;hydrochloride is CC[C@H](N)c1ccccc1.Cl.
What is the InChIKey of (1S)-1-phenylpropan-1-amine;hydrochloride?
The InChIKey is GRVMJKAAXNELJW-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h3-7,9H,2,10H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-phenylpropan-1-amine;hydrochloride?
(1S)-1-phenylpropan-1-amine;hydrochloride has a molecular weight of 171.67 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenylpropan-1-amine;hydrochloride is sourced from PubChem (CID 44542268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).