N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine

C11H14ClN — CID 130877387

IUPACN-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C11H14ClN/c1-13(11-5-6-11)8-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyGWODBSVYMMOXNH-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.93
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine

N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine (PubChem CID 130877387) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
PubChem CID130877387
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
SMILESCN(Cc1cccc(Cl)c1)C1CC1
InChIInChI=1S/C11H14ClN/c1-13(11-5-6-11)8-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyGWODBSVYMMOXNH-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762949
N-[(3-chlorophenyl)methyl]-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120158
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
4-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 61417130
N-(2-chloroethyl)-N-[(3-chlorophenyl)methyl]cyclopentanamine
CID 63389670
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
2-[(3-chlorophenyl)methyl-methylamino]cycloheptane-1-carboxylic acid
CID 63069357
(3R,4R)-4-[(3-chlorophenyl)methyl-methylamino]-1,1-dioxothiolan-3-ol
CID 129366382
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
4-amino-N-[(3-chlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 54868902

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine (CID 130877387) is N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine is CN(Cc1cccc(Cl)c1)C1CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine?
The InChIKey is GWODBSVYMMOXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-13(11-5-6-11)8-9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine?
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine has a molecular weight of 195.69 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 130877387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).