N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine

C13H17Cl2N — CID 90686398

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H17Cl2N/c1-16(11-4-2-3-5-11)9-10-6-7-12(14)13(15)8-10/h6-8,11H,2-5,9H2,1H3
InChIKeySWUKBORAKBWUSP-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.37
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine

N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine (PubChem CID 90686398) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
PubChem CID90686398
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H17Cl2N/c1-16(11-4-2-3-5-11)9-10-6-7-12(14)13(15)8-10/h6-8,11H,2-5,9H2,1H3
InChIKeySWUKBORAKBWUSP-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
N-[(4-chloro-3-methoxyphenyl)methyl]-N-methylcyclooctanamine
CID 21435419
2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol
CID 82982535
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cycloheptanamine
CID 103438311
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexanamine
CID 103438253
N-[(3-chloro-4-methylphenyl)methyl]-N-methylpiperidin-3-amine
CID 106817825
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
N-[(7-chloro-2-propan-2-yl-1,3-benzoxazol-5-yl)methyl]-N-methylcyclopentanamine
CID 166557594
N-[(4-chloro-3-fluorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 105400817

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine (CID 90686398) is N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine is CN(Cc1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine?
The InChIKey is SWUKBORAKBWUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c1-16(11-4-2-3-5-11)9-10-6-7-12(14)13(15)8-10/h6-8,11H,2-5,9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine?
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine has a molecular weight of 258.19 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine is sourced from PubChem (CID 90686398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).