3-[(1S)-1-aminopropyl]phenol;hydrochloride

C9H14ClNO — CID 138989201

IUPAC3-[(1S)-1-aminopropyl]phenol;hydrochloride
SMILESCC[C@H](N)c1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-2-9(10)7-4-3-5-8(11)6-7;/h3-6,9,11H,2,10H2,1H3;1H/t9-;/m0./s1
InChIKeyCITVICROZQBGHJ-FVGYRXGTSA-N
MW187.67 g/mol
LogP2.22
Rot. Bonds2

About 3-[(1S)-1-aminopropyl]phenol;hydrochloride

3-[(1S)-1-aminopropyl]phenol;hydrochloride (PubChem CID 138989201) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 3-[(1S)-1-aminopropyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1S)-1-aminopropyl]phenol;hydrochloride
PubChem CID138989201
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name3-[(1S)-1-aminopropyl]phenol;hydrochloride
SMILESCC[C@H](N)c1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-2-9(10)7-4-3-5-8(11)6-7;/h3-6,9,11H,2,10H2,1H3;1H/t9-;/m0./s1
InChIKeyCITVICROZQBGHJ-FVGYRXGTSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
3-[(1R)-1-aminobut-3-enyl]phenol;hydrochloride
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3-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171218072
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
3-[(1R)-1-amino-2,2-dimethylpropyl]phenol;hydrochloride
CID 171245723

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminopropyl]phenol;hydrochloride?
The IUPAC name of 3-[(1S)-1-aminopropyl]phenol;hydrochloride (CID 138989201) is 3-[(1S)-1-aminopropyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1S)-1-aminopropyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1S)-1-aminopropyl]phenol;hydrochloride is CC[C@H](N)c1cccc(O)c1.Cl.
What is the InChIKey of 3-[(1S)-1-aminopropyl]phenol;hydrochloride?
The InChIKey is CITVICROZQBGHJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-2-9(10)7-4-3-5-8(11)6-7;/h3-6,9,11H,2,10H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 3-[(1S)-1-aminopropyl]phenol;hydrochloride?
3-[(1S)-1-aminopropyl]phenol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminopropyl]phenol;hydrochloride is sourced from PubChem (CID 138989201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).