N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine

C14H20ClN — CID 63388091

IUPACN-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
SMILESCc1ccc(C)c(CN(CCCl)C2CC2)c1
InChIInChI=1S/C14H20ClN/c1-11-3-4-12(2)13(9-11)10-16(8-7-15)14-5-6-14/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyGNJRBWGBALAIEJ-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.51
Rot. Bonds5

About N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine

N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine (PubChem CID 63388091) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
PubChem CID63388091
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC NameN-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine
SMILESCc1ccc(C)c(CN(CCCl)C2CC2)c1
InChIInChI=1S/C14H20ClN/c1-11-3-4-12(2)13(9-11)10-16(8-7-15)14-5-6-14/h3-4,9,14H,5-8,10H2,1-2H3
InChIKeyGNJRBWGBALAIEJ-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N'-[(2,5-dimethylphenyl)methyl]propane-1,3-diamine
CID 61481667
N-(2-chloroethyl)-N-[(3,4-dimethylphenyl)methyl]cyclobutanamine
CID 102861334
N-(2-bromoethyl)-N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106869935
4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149515
N-(2-chloroethyl)-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutanamine
CID 103050095
N-(2-chloroethyl)-N-[(2-chloro-4-fluorophenyl)methyl]cyclopropanamine
CID 63387646
3-[(2-chloro-4-methylphenyl)methyl-cyclobutylamino]propan-1-ol
CID 106869320
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
CID 102860764
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
2-[[cyclopentyl(ethyl)amino]methyl]-4-methylphenol
CID 82976860
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
CID 65318354

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine (CID 63388091) is N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine is Cc1ccc(C)c(CN(CCCl)C2CC2)c1.
What is the InChIKey of N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine?
The InChIKey is GNJRBWGBALAIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c1-11-3-4-12(2)13(9-11)10-16(8-7-15)14-5-6-14/h3-4,9,14H,5-8,10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine?
N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine has a molecular weight of 237.77 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(2,5-dimethylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 63388091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).