2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride

C13H21Cl2NO — CID 122360330

IUPAC2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
SMILESCC(NC(CO)C(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-9(2)13(8-16)15-10(3)11-4-6-12(14)7-5-11;/h4-7,9-10,13,15-16H,8H2,1-3H3;1H
InChIKeyLFSUWFMGHMQVMM-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.43
Rot. Bonds5

About 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride

2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride (PubChem CID 122360330) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
PubChem CID122360330
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
SMILESCC(NC(CO)C(C)C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-9(2)13(8-16)15-10(3)11-4-6-12(14)7-5-11;/h4-7,9-10,13,15-16H,8H2,1-3H3;1H
InChIKeyLFSUWFMGHMQVMM-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-1-ol
CID 28723516
3-methyl-2-[1-(4-phenylphenyl)ethylamino]butan-1-ol
CID 79236662
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]butan-2-ol
CID 81352452
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81355634

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride (CID 122360330) is 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride is CC(NC(CO)C(C)C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride?
The InChIKey is LFSUWFMGHMQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO.ClH/c1-9(2)13(8-16)15-10(3)11-4-6-12(14)7-5-11;/h4-7,9-10,13,15-16H,8H2,1-3H3;1H.
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride?
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride has a molecular weight of 278.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride is sourced from PubChem (CID 122360330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).