4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol

C12H18ClNO — CID 66089910

IUPAC4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-10(5-6-15)8-14-9-11-3-2-4-12(13)7-11/h2-4,7,10,14-15H,5-6,8-9H2,1H3
InChIKeyPDRZHWXQFGALOJ-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.45
Rot. Bonds6

About 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol

4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol (PubChem CID 66089910) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
PubChem CID66089910
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
SMILESCC(CCO)CNCc1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO/c1-10(5-6-15)8-14-9-11-3-2-4-12(13)7-11/h2-4,7,10,14-15H,5-6,8-9H2,1H3
InChIKeyPDRZHWXQFGALOJ-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
3-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzamide
CID 66089913
4-[(4-bromo-3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 103581768
4-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzene-1,2-diol
CID 66090122
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropan-1-ol
CID 107230392
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol (CID 66089910) is 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol is CC(CCO)CNCc1cccc(Cl)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is PDRZHWXQFGALOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-10(5-6-15)8-14-9-11-3-2-4-12(13)7-11/h2-4,7,10,14-15H,5-6,8-9H2,1H3.
What are the key properties of 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol?
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol has a molecular weight of 227.73 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 66089910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).