2-amino-4-phenylbutan-1-ol

C20H30N2O2 — CID 159249603

IUPAC2-amino-4-phenylbutan-1-ol
SMILESNC(CO)CCc1ccccc1.NC(CO)CCc1ccccc1
InChIInChI=1S/2C10H15NO/c2*11-10(8-12)7-6-9-4-2-1-3-5-9/h2*1-5,10,12H,6-8,11H2
InChIKeyKVCTUMXGBWZFDO-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.88
Rot. Bonds8

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

2-amino-4-phenylbutan-1-ol (PubChem CID 159249603) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-amino-4-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-phenylbutan-1-ol
PubChem CID159249603
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-amino-4-phenylbutan-1-ol
SMILESNC(CO)CCc1ccccc1.NC(CO)CCc1ccccc1
InChIInChI=1S/2C10H15NO/c2*11-10(8-12)7-6-9-4-2-1-3-5-9/h2*1-5,10,12H,6-8,11H2
InChIKeyKVCTUMXGBWZFDO-UHFFFAOYSA-N
XLogP1.88
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
1,4-diphenylbutan-2-amine
CID 60820174
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-3-phenylpropan-1-ol;methanamine
CID 162684961
6-phenylhexane-1,4-diamine
CID 23163544
2-amino-3-(2-phenylethoxy)propan-1-ol
CID 77236117
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-phenylbutan-1-ol (CID 159249603) is 2-amino-4-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-phenylbutan-1-ol is NC(CO)CCc1ccccc1.NC(CO)CCc1ccccc1.
What is the InChIKey of 2-amino-4-phenylbutan-1-ol?
The InChIKey is KVCTUMXGBWZFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15NO/c2*11-10(8-12)7-6-9-4-2-1-3-5-9/h2*1-5,10,12H,6-8,11H2.
What are the key properties of 2-amino-4-phenylbutan-1-ol?
2-amino-4-phenylbutan-1-ol has a molecular weight of 330.47 g/mol, XLogP of 1.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenylbutan-1-ol is sourced from PubChem (CID 159249603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).