1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine

C13H18ClN — CID 103735458

IUPAC1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClN/c1-2-13(7-8-13)10-15-9-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyHHRRZBXKRIDDMJ-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine

1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine (PubChem CID 103735458) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
PubChem CID103735458
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
SMILESCCC1(CNCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClN/c1-2-13(7-8-13)10-15-9-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyHHRRZBXKRIDDMJ-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[(1-ethylcyclopentyl)methylamino]methyl]aniline
CID 114125839
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
1-(3,4-dichlorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124465
methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
N-[(1-ethylcyclopropyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756472
N-[(1-ethylcyclopropyl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 103735577
1-(3-bromo-4-fluorophenyl)-N-[(1-ethylcyclopentyl)methyl]methanamine
CID 114124598
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
N-[(4-chlorophenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 29031068
N-(4-chlorophenyl)-2-[(1-ethylcyclopropyl)methylamino]acetamide
CID 114099958
N-[(1-ethylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 103735457
1-(5-chlorofuran-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
CID 115680349

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine (CID 103735458) is 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine is CCC1(CNCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
The InChIKey is HHRRZBXKRIDDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-2-13(7-8-13)10-15-9-11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine has a molecular weight of 223.75 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 103735458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).