1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine

C13H17Cl2N — CID 81017170

IUPAC1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N/c1-16-8-11-3-2-9(11)6-10-4-5-12(14)7-13(10)15/h4-5,7,9,11,16H,2-3,6,8H2,1H3
InChIKeyXWLAKRUQTZWDMI-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine

1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 81017170) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID81017170
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2N/c1-16-8-11-3-2-9(11)6-10-4-5-12(14)7-13(10)15/h4-5,7,9,11,16H,2-3,6,8H2,1H3
InChIKeyXWLAKRUQTZWDMI-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017504
N-[[2-[(2,4-dichlorophenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028134
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
N-[[2-[(2,4-dichlorophenyl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81033102
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
1-[2-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 102864397
N-[[2-[(4-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 114862675
1-[2-[(3-chloro-4-fluorophenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 103042334
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
1-[2-[(2-chloro-5-fluorophenyl)methyl]cycloheptyl]-N-methylmethanamine
CID 102621851
2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63461138

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine (CID 81017170) is 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine is CNCC1CCC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is XWLAKRUQTZWDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-16-8-11-3-2-9(11)6-10-4-5-12(14)7-13(10)15/h4-5,7,9,11,16H,2-3,6,8H2,1H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine?
1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 258.19 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81017170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).