1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride

C13H19Cl2N — CID 115680463

IUPAC1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
SMILESCC1(CNCc2ccccc2Cl)CCC1.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-13(7-4-8-13)10-15-9-11-5-2-3-6-12(11)14;/h2-3,5-6,15H,4,7-10H2,1H3;1H
InChIKeyVBVBDUZKGDKNPZ-UHFFFAOYSA-N
MW260.21 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride

1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride (PubChem CID 115680463) has the molecular formula C13H19Cl2N and a molecular weight of 260.21 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
PubChem CID115680463
Molecular FormulaC13H19Cl2N
Molecular Weight260.21 g/mol
Exact Mass259.09
IUPAC Name1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
SMILESCC1(CNCc2ccccc2Cl)CCC1.Cl
InChIInChI=1S/C13H18ClN.ClH/c1-13(7-4-8-13)10-15-9-11-5-2-3-6-12(11)14;/h2-3,5-6,15H,4,7-10H2,1H3;1H
InChIKeyVBVBDUZKGDKNPZ-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
1-[[(2-chlorophenyl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115350
1-(2-fluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822886
N-[(1-methylcyclopentyl)methyl]-1-naphthalen-1-ylmethanamine
CID 63822202
3-chloro-2-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735921
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
1-(2-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984685
N-[(1-methylcyclobutyl)methyl]-1-(2-nitrophenyl)methanamine
CID 103735801
N-[2-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103834517
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
1-(2-chloro-6-methoxyphenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735799

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride (CID 115680463) is 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride is CC1(CNCc2ccccc2Cl)CCC1.Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
The InChIKey is VBVBDUZKGDKNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN.ClH/c1-13(7-4-8-13)10-15-9-11-5-2-3-6-12(11)14;/h2-3,5-6,15H,4,7-10H2,1H3;1H.
What are the key properties of 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride?
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride has a molecular weight of 260.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115680463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).