2-amino-4-(2-chlorophenyl)butan-1-ol

C10H14ClNO — CID 56656008

IUPAC2-amino-4-(2-chlorophenyl)butan-1-ol
SMILESNC(CO)CCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c11-10-4-2-1-3-8(10)5-6-9(12)7-13/h1-4,9,13H,5-7,12H2
InChIKeyOMJVSCSQDHDQBA-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.59
Rot. Bonds4

About 2-amino-4-(2-chlorophenyl)butan-1-ol

2-amino-4-(2-chlorophenyl)butan-1-ol (PubChem CID 56656008) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)butan-1-ol
PubChem CID56656008
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-amino-4-(2-chlorophenyl)butan-1-ol
SMILESNC(CO)CCc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c11-10-4-2-1-3-8(10)5-6-9(12)7-13/h1-4,9,13H,5-7,12H2
InChIKeyOMJVSCSQDHDQBA-UHFFFAOYSA-N
XLogP1.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-phenylbutan-1-ol
CID 159249603
4-amino-1-(2-chlorophenyl)pentan-3-ol
CID 83924263
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
1-(2-chlorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367436
3-(2-chlorophenyl)-1-cyclopropylpropan-1-ol
CID 63358080
4-amino-1-(2-chlorophenyl)heptan-3-ol
CID 83924269
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
(2S)-4-(2-chlorophenyl)-2-(2-hydroxypropan-2-yloxy)butan-1-ol
CID 144861800
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
azane;2-(2-chlorophenyl)ethanamine
CID 70087147
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)butan-1-ol?
The IUPAC name of 2-amino-4-(2-chlorophenyl)butan-1-ol (CID 56656008) is 2-amino-4-(2-chlorophenyl)butan-1-ol.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)butan-1-ol?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)butan-1-ol is NC(CO)CCc1ccccc1Cl.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)butan-1-ol?
The InChIKey is OMJVSCSQDHDQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-10-4-2-1-3-8(10)5-6-9(12)7-13/h1-4,9,13H,5-7,12H2.
What are the key properties of 2-amino-4-(2-chlorophenyl)butan-1-ol?
2-amino-4-(2-chlorophenyl)butan-1-ol has a molecular weight of 199.68 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)butan-1-ol is sourced from PubChem (CID 56656008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).