1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride

C13H21Cl2NO — CID 115598038

IUPAC1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)CC(O)CNCc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-10(2)6-13(16)9-15-8-11-4-3-5-12(14)7-11;/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3;1H
InChIKeyMEVSEOILATWLSI-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.26
Rot. Bonds6

About 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride

1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride (PubChem CID 115598038) has the molecular formula C13H21Cl2NO and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
PubChem CID115598038
Molecular FormulaC13H21Cl2NO
Molecular Weight278.22 g/mol
Exact Mass277.10
IUPAC Name1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)CC(O)CNCc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H20ClNO.ClH/c1-10(2)6-13(16)9-15-8-11-4-3-5-12(14)7-11;/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3;1H
InChIKeyMEVSEOILATWLSI-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
4-methyl-1-[(3-methylphenyl)methylamino]pentan-2-ol
CID 103631788
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
CID 4719833
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 107262771
1-(3-chlorophenyl)-6-methylheptan-4-ol
CID 141283278
1-(4-chlorophenyl)-2-[(3-chlorophenyl)methylamino]ethanol
CID 60724900
N-[(3-chlorophenyl)methyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43100371

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride?
The IUPAC name of 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride (CID 115598038) is 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride?
The canonical SMILES for 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride is CC(C)CC(O)CNCc1cccc(Cl)c1.Cl.
What is the InChIKey of 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride?
The InChIKey is MEVSEOILATWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO.ClH/c1-10(2)6-13(16)9-15-8-11-4-3-5-12(14)7-11;/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3;1H.
What are the key properties of 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride?
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride has a molecular weight of 278.22 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 115598038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).