(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride

C9H14ClNO — CID 71743708

IUPAC(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
SMILESCl.NCC[C@H](O)c1ccccc1
InChIInChI=1S/C9H13NO.ClH/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-5,9,11H,6-7,10H2;1H/t9-;/m0./s1
InChIKeyGWAJWRXFIVOHTE-FVGYRXGTSA-N
MW187.67 g/mol
LogP1.49
Rot. Bonds3

About (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride

(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride (PubChem CID 71743708) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
PubChem CID71743708
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride
SMILESCl.NCC[C@H](O)c1ccccc1
InChIInChI=1S/C9H13NO.ClH/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-5,9,11H,6-7,10H2;1H/t9-;/m0./s1
InChIKeyGWAJWRXFIVOHTE-FVGYRXGTSA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-phenylpropan-1-ol;hydrochloride
CID 13013905
1-phenylpropane-1,3-diol
CID 572059
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
1,4,4-triphenylbutan-1-ol
CID 141326006
2-amino-1-phenylethanol;ethane
CID 91425169
2-phenylbutane-1,4-diamine
CID 16770348
2,4-diamino-1-phenylbutan-1-ol
CID 83936523
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S)-1-phenylpentan-1-ol
CID 6992754
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(4R)-1-phenylpentane-1,4-diol
CID 13204353
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424

Frequently Asked Questions

What is the IUPAC name of (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride (CID 71743708) is (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride is Cl.NCC[C@H](O)c1ccccc1.
What is the InChIKey of (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is GWAJWRXFIVOHTE-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-5,9,11H,6-7,10H2;1H/t9-;/m0./s1.
What are the key properties of (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride?
(1S)-3-amino-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-amino-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 71743708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).