N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine

C12H15Cl2N — CID 115671641

IUPACN-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H15Cl2N/c1-8-5-10(6-8)15-7-9-3-2-4-11(13)12(9)14/h2-4,8,10,15H,5-7H2,1H3
InChIKeyBSBBYMAMJHUXCE-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.88
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine

N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine (PubChem CID 115671641) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
PubChem CID115671641
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
SMILESCC1CC(NCc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C12H15Cl2N/c1-8-5-10(6-8)15-7-9-3-2-4-11(13)12(9)14/h2-4,8,10,15H,5-7H2,1H3
InChIKeyBSBBYMAMJHUXCE-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
N-[(2,3-dichlorophenyl)methyl]-1-methylpyrrolidin-3-amine
CID 61462296
N-[[3-chloro-2-(3,5-dimethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953723
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine (CID 115671641) is N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine is CC1CC(NCc2cccc(Cl)c2Cl)C1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine?
The InChIKey is BSBBYMAMJHUXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c1-8-5-10(6-8)15-7-9-3-2-4-11(13)12(9)14/h2-4,8,10,15H,5-7H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine?
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine has a molecular weight of 244.16 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115671641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).