N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine

C12H16ClN — CID 43183248

IUPACN-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
SMILESCC(NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H16ClN/c1-9(11-4-5-11)14-8-10-2-6-12(13)7-3-10/h2-3,6-7,9,11,14H,4-5,8H2,1H3
InChIKeyQWFFDWBYGBSZGQ-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.23
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine

N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine (PubChem CID 43183248) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
PubChem CID43183248
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
SMILESCC(NCc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C12H16ClN/c1-9(11-4-5-11)14-8-10-2-6-12(13)7-3-10/h2-3,6-7,9,11,14H,4-5,8H2,1H3
InChIKeyQWFFDWBYGBSZGQ-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
N-[(3-chloro-4-methylphenyl)methyl]-1-cyclopropylethanamine
CID 106816243
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
(1S)-1-cyclobutyl-N-[(4-methylphenyl)methyl]ethanamine
CID 118957385
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920
N-[2-[(4-chlorophenyl)methoxy]ethyl]-1-cyclopropylethanamine
CID 65125135
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 62539575

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine (CID 43183248) is N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine is CC(NCc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine?
The InChIKey is QWFFDWBYGBSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9(11-4-5-11)14-8-10-2-6-12(13)7-3-10/h2-3,6-7,9,11,14H,4-5,8H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine?
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine has a molecular weight of 209.72 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine is sourced from PubChem (CID 43183248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).