3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C15H23ClN2 — CID 167793543

IUPAC3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCc1cc(Cl)cc(CNCC2CC(N(C)C)C2)c1
InChIInChI=1S/C15H23ClN2/c1-11-4-12(6-14(16)5-11)9-17-10-13-7-15(8-13)18(2)3/h4-6,13,15,17H,7-10H2,1-3H3
InChIKeyPWUSCNXSPBBRKM-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.08
Rot. Bonds5

About 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 167793543) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID167793543
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCc1cc(Cl)cc(CNCC2CC(N(C)C)C2)c1
InChIInChI=1S/C15H23ClN2/c1-11-4-12(6-14(16)5-11)9-17-10-13-7-15(8-13)18(2)3/h4-6,13,15,17H,7-10H2,1-3H3
InChIKeyPWUSCNXSPBBRKM-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-1-[3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 46231501
1-(3-chlorocyclopentyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 106120912
N-[(3-chloro-5-methylphenyl)methyl]-1-phenylmethanamine
CID 81324019
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270774
N-[(3-chloro-5-methylphenyl)methyl]cyclobutanamine
CID 130727776
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
1-(3-methylcyclobutyl)-N-[(4-methylphenyl)methyl]methanamine
CID 97034738
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
N-[(3-chloro-5-fluorophenyl)methyl]-1-(1-ethylpiperidin-4-yl)methanamine
CID 114452786
N-[(3,5-dimethylphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351650
N-[(3,5-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456073

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 167793543) is 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is Cc1cc(Cl)cc(CNCC2CC(N(C)C)C2)c1.
What is the InChIKey of 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is PWUSCNXSPBBRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-11-4-12(6-14(16)5-11)9-17-10-13-7-15(8-13)18(2)3/h4-6,13,15,17H,7-10H2,1-3H3.
What are the key properties of 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-chloro-5-methylphenyl)methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 167793543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).