3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine

C13H18ClNO — CID 116926457

IUPAC3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(C)c(Cl)cc1CC1CC(N)C1
InChIInChI=1S/C13H18ClNO/c1-8-3-13(16-2)10(7-12(8)14)4-9-5-11(15)6-9/h3,7,9,11H,4-6,15H2,1-2H3
InChIKeyVFXOPBUCJZNWDO-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.94
Rot. Bonds3

About 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine

3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine (PubChem CID 116926457) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
PubChem CID116926457
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(C)c(Cl)cc1CC1CC(N)C1
InChIInChI=1S/C13H18ClNO/c1-8-3-13(16-2)10(7-12(8)14)4-9-5-11(15)6-9/h3,7,9,11H,4-6,15H2,1-2H3
InChIKeyVFXOPBUCJZNWDO-UHFFFAOYSA-N
XLogP2.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-chloro-2-methoxy-4-methylphenyl)methyl]piperidine
CID 82298661
3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214074
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
4-[(2,5-dimethoxy-4-methylphenyl)methyl]cyclohexan-1-amine
CID 116926249
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
3-[(5-chloro-4-methoxy-2-methylphenyl)methyl]azetidine
CID 82287742
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclopentanamine
CID 82298659
N'-(5-chloro-2-methoxy-4-methylphenyl)methanediamine
CID 115225402
4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
CID 82477650
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine (CID 116926457) is 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine is COc1cc(C)c(Cl)cc1CC1CC(N)C1.
What is the InChIKey of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine?
The InChIKey is VFXOPBUCJZNWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-8-3-13(16-2)10(7-12(8)14)4-9-5-11(15)6-9/h3,7,9,11H,4-6,15H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine?
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 116926457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).