1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol

C11H16ClNO — CID 83937420

IUPAC1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
SMILESCc1cc(CCC(O)CN)ccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-6-9(3-5-11(8)12)2-4-10(14)7-13/h3,5-6,10,14H,2,4,7,13H2,1H3
InChIKeyFRBOGMKOHZJKNQ-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.90
Rot. Bonds4

About 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol

1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol (PubChem CID 83937420) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
PubChem CID83937420
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol
SMILESCc1cc(CCC(O)CN)ccc1Cl
InChIInChI=1S/C11H16ClNO/c1-8-6-9(3-5-11(8)12)2-4-10(14)7-13/h3,5-6,10,14H,2,4,7,13H2,1H3
InChIKeyFRBOGMKOHZJKNQ-UHFFFAOYSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-4-(4-bromo-3-methylphenyl)butan-2-ol
CID 83936347
4-(4-chloro-3-methylphenyl)butan-2-amine
CID 130054284
2-(4-chloro-3-methylphenyl)ethanamine;hydrochloride
CID 134085940
1-amino-4-(3-methylphenyl)butan-2-ol
CID 66581739
1-chloro-2-methyl-4-(3-methylpentyl)benzene
CID 91237561
5-(4-chloro-3-methylphenyl)pentan-2-amine
CID 83937390
1-amino-4-(4-propylphenyl)butan-2-ol
CID 83921571
1-amino-4-(3,4-difluorophenyl)butan-2-ol
CID 82282345
1-chloro-4-(2-chloroethyl)-2-methylbenzene
CID 95405218
1-amino-4-(3,5-dichloro-4-methoxyphenyl)butan-2-ol
CID 83928675
1-(3-chloro-4-methylphenyl)hexan-3-ol
CID 107561010
4-(2-bromoethyl)-1-chloro-2-methylbenzene
CID 70098865

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol (CID 83937420) is 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol is Cc1cc(CCC(O)CN)ccc1Cl.
What is the InChIKey of 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol?
The InChIKey is FRBOGMKOHZJKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8-6-9(3-5-11(8)12)2-4-10(14)7-13/h3,5-6,10,14H,2,4,7,13H2,1H3.
What are the key properties of 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol?
1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(4-chloro-3-methylphenyl)butan-2-ol is sourced from PubChem (CID 83937420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).