1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine

C15H21Cl2N — CID 114124465

IUPAC1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C15H21Cl2N/c1-2-15(7-3-4-8-15)11-18-10-12-5-6-13(16)14(17)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyOFJBQXFXOTZZRN-UHFFFAOYSA-N
MW286.25 g/mol
LogP5.05
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine

1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine (PubChem CID 114124465) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
PubChem CID114124465
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C15H21Cl2N/c1-2-15(7-3-4-8-15)11-18-10-12-5-6-13(16)14(17)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3
InChIKeyOFJBQXFXOTZZRN-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.25
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(3,4-dichlorophenyl)methanamine
CID 103969053
4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 106817015
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 106817065
[1-[[(4-bromo-3-chlorophenyl)methylamino]methyl]cyclopentyl]methanol
CID 103581870
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclobutyl)methyl]ethanamine
CID 114107390
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
[1-[(3,4-dichlorophenyl)methyl]cyclohexyl]methanamine
CID 63522504

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine (CID 114124465) is 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine is CCC1(CNCc2ccc(Cl)c(Cl)c2)CCCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
The InChIKey is OFJBQXFXOTZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N/c1-2-15(7-3-4-8-15)11-18-10-12-5-6-13(16)14(17)9-12/h5-6,9,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine?
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine has a molecular weight of 286.25 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 114124465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).