2-[(3-chlorophenyl)methylamino]butan-1-ol

C11H16ClNO — CID 4711843

IUPAC2-[(3-chlorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-2-11(8-14)13-7-9-4-3-5-10(12)6-9/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyJCQORVWFVNIMAI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.20
Rot. Bonds5

About 2-[(3-chlorophenyl)methylamino]butan-1-ol

2-[(3-chlorophenyl)methylamino]butan-1-ol (PubChem CID 4711843) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]butan-1-ol
PubChem CID4711843
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-[(3-chlorophenyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO/c1-2-11(8-14)13-7-9-4-3-5-10(12)6-9/h3-6,11,13-14H,2,7-8H2,1H3
InChIKeyJCQORVWFVNIMAI-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900016
N-[(3-chlorophenyl)methyl]heptan-3-amine
CID 4712076
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
3-[(3-chlorophenyl)methylamino]-N'-hydroxypentanimidamide
CID 77027177
(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51996369
2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274
N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
2-[(3-ethylphenyl)methylamino]propane-1,3-diol
CID 71028738
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]butan-1-ol (CID 4711843) is 2-[(3-chlorophenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]butan-1-ol is CCC(CO)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]butan-1-ol?
The InChIKey is JCQORVWFVNIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-2-11(8-14)13-7-9-4-3-5-10(12)6-9/h3-6,11,13-14H,2,7-8H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methylamino]butan-1-ol?
2-[(3-chlorophenyl)methylamino]butan-1-ol has a molecular weight of 213.71 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]butan-1-ol is sourced from PubChem (CID 4711843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).