1-[(3-chloroanilino)methyl]cyclobutan-1-ol

C11H14ClNO — CID 131701731

IUPAC1-[(3-chloroanilino)methyl]cyclobutan-1-ol
SMILESOC1(CNc2cccc(Cl)c2)CCC1
InChIInChI=1S/C11H14ClNO/c12-9-3-1-4-10(7-9)13-8-11(14)5-2-6-11/h1,3-4,7,13-14H,2,5-6,8H2
InChIKeyOKBKJWNLHLJQLZ-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.67
Rot. Bonds3

About 1-[(3-chloroanilino)methyl]cyclobutan-1-ol

1-[(3-chloroanilino)methyl]cyclobutan-1-ol (PubChem CID 131701731) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-[(3-chloroanilino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(3-chloroanilino)methyl]cyclobutan-1-ol
PubChem CID131701731
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-[(3-chloroanilino)methyl]cyclobutan-1-ol
SMILESOC1(CNc2cccc(Cl)c2)CCC1
InChIInChI=1S/C11H14ClNO/c12-9-3-1-4-10(7-9)13-8-11(14)5-2-6-11/h1,3-4,7,13-14H,2,5-6,8H2
InChIKeyOKBKJWNLHLJQLZ-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
1-[(3-butylanilino)methyl]cyclohexan-1-ol
CID 90045580
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 103911762
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
4-chloro-2-[(1-hydroxycyclobutyl)methylamino]benzonitrile
CID 115669087
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[[3-(3-amino-3-hydroxypropyl)anilino]methyl]cyclohexan-1-ol;hydrochloride
CID 67296595
3-amino-1-[3-[(1-hydroxycyclopentyl)methylamino]phenyl]propan-1-one
CID 46195405
1-[(3-chlorophenyl)methyl]cyclopentan-1-ol
CID 60798466
1-(3-chloroanilino)propan-2-one
CID 21364413

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroanilino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(3-chloroanilino)methyl]cyclobutan-1-ol (CID 131701731) is 1-[(3-chloroanilino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(3-chloroanilino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(3-chloroanilino)methyl]cyclobutan-1-ol is OC1(CNc2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-[(3-chloroanilino)methyl]cyclobutan-1-ol?
The InChIKey is OKBKJWNLHLJQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-3-1-4-10(7-9)13-8-11(14)5-2-6-11/h1,3-4,7,13-14H,2,5-6,8H2.
What are the key properties of 1-[(3-chloroanilino)methyl]cyclobutan-1-ol?
1-[(3-chloroanilino)methyl]cyclobutan-1-ol has a molecular weight of 211.69 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroanilino)methyl]cyclobutan-1-ol is sourced from PubChem (CID 131701731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).