2-amino-4-phenylbutan-1-ol;hydrochloride

C10H16ClNO — CID 132647955

IUPAC2-amino-4-phenylbutan-1-ol;hydrochloride
SMILESCl.NC(CO)CCc1ccccc1
InChIInChI=1S/C10H15NO.ClH/c11-10(8-12)7-6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8,11H2;1H
InChIKeyONNNMSBSLSBRGI-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-4-phenylbutan-1-ol;hydrochloride

2-amino-4-phenylbutan-1-ol;hydrochloride (PubChem CID 132647955) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-amino-4-phenylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-phenylbutan-1-ol;hydrochloride
PubChem CID132647955
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-amino-4-phenylbutan-1-ol;hydrochloride
SMILESCl.NC(CO)CCc1ccccc1
InChIInChI=1S/C10H15NO.ClH/c11-10(8-12)7-6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8,11H2;1H
InChIKeyONNNMSBSLSBRGI-UHFFFAOYSA-N
XLogP1.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-phenylbutan-1-ol
CID 159249603
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1,4-diphenylbutan-2-amine
CID 60820174
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
5-phenylpentane-1,3-diamine
CID 68702978
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451
(3R)-1-phenylhexan-3-amine
CID 66612996
2-amino-4-(2-chlorophenyl)butan-1-ol
CID 56656008
carbamic acid;4-phenylbutane-1,2-diamine
CID 70126726
2-amino-4-(4-octylphenyl)butan-1-ol;hydrochloride
CID 10064205
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
6-phenylhexane-1,4-diamine
CID 23163544

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylbutan-1-ol;hydrochloride?
The IUPAC name of 2-amino-4-phenylbutan-1-ol;hydrochloride (CID 132647955) is 2-amino-4-phenylbutan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-4-phenylbutan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-4-phenylbutan-1-ol;hydrochloride is Cl.NC(CO)CCc1ccccc1.
What is the InChIKey of 2-amino-4-phenylbutan-1-ol;hydrochloride?
The InChIKey is ONNNMSBSLSBRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c11-10(8-12)7-6-9-4-2-1-3-5-9;/h1-5,10,12H,6-8,11H2;1H.
What are the key properties of 2-amino-4-phenylbutan-1-ol;hydrochloride?
2-amino-4-phenylbutan-1-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylbutan-1-ol;hydrochloride is sourced from PubChem (CID 132647955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).