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

C14H21ClN2O — CID 115214074

IUPAC3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCOc1cc(C)c(CNCC2CC(N)C2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9-3-14(18-2)13(15)6-11(9)8-17-7-10-4-12(16)5-10/h3,6,10,12,17H,4-5,7-8,16H2,1-2H3
InChIKeyVMZGXVLDBYDVKO-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.48
Rot. Bonds5

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

3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 115214074) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
PubChem CID115214074
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCOc1cc(C)c(CNCC2CC(N)C2)cc1Cl
InChIInChI=1S/C14H21ClN2O/c1-9-3-14(18-2)13(15)6-11(9)8-17-7-10-4-12(16)5-10/h3,6,10,12,17H,4-5,7-8,16H2,1-2H3
InChIKeyVMZGXVLDBYDVKO-UHFFFAOYSA-N
XLogP2.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-N-methylmethanediamine
CID 89373836
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214125
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 115244105
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]cyclobutan-1-amine
CID 116926457
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
N-[(3-aminocyclobutyl)methyl]-2-methoxy-4,5-dimethylaniline
CID 115213789
1-(5-chloro-4-methoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 70849706
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 115209939
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-oxoacetamide
CID 115166223
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]cyclobutanecarboxamide
CID 110781882

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine (CID 115214074) is 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine is COc1cc(C)c(CNCC2CC(N)C2)cc1Cl.
What is the InChIKey of 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is VMZGXVLDBYDVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-3-14(18-2)13(15)6-11(9)8-17-7-10-4-12(16)5-10/h3,6,10,12,17H,4-5,7-8,16H2,1-2H3.
What are the key properties of 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine?
3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 268.79 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).