N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine

C13H17Cl2N — CID 63277735

IUPACN-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N/c1-9-4-2-7-13(9)16-8-10-11(14)5-3-6-12(10)15/h3,5-6,9,13,16H,2,4,7-8H2,1H3
InChIKeyWVOXKILOPBXPNT-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.27
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine

N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 63277735) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID63277735
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2N/c1-9-4-2-7-13(9)16-8-10-11(14)5-3-6-12(10)15/h3,5-6,9,13,16H,2,4,7-8H2,1H3
InChIKeyWVOXKILOPBXPNT-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
N-[(2,3-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277681
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 114749969
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
2-methyl-N-[(2,4,5-trifluorophenyl)methyl]cyclopentan-1-amine
CID 103792995
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
2-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 43081283

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine (CID 63277735) is N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is WVOXKILOPBXPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-9-4-2-7-13(9)16-8-10-11(14)5-3-6-12(10)15/h3,5-6,9,13,16H,2,4,7-8H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 258.19 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 63277735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).