5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline

C17H25ClN2 — CID 114848269

IUPAC5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
SMILESCCN(c1cc(Cl)ccc1CNC1CC1)C1CCCC1
InChIInChI=1S/C17H25ClN2/c1-2-20(16-5-3-4-6-16)17-11-14(18)8-7-13(17)12-19-15-9-10-15/h7-8,11,15-16,19H,2-6,9-10,12H2,1H3
InChIKeyGRYYIWSSJIONDA-UHFFFAOYSA-N
MW292.85 g/mol
LogP4.36
Rot. Bonds6

About 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline

5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline (PubChem CID 114848269) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline.

Molecular Properties

Compound Name5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
PubChem CID114848269
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
SMILESCCN(c1cc(Cl)ccc1CNC1CC1)C1CCCC1
InChIInChI=1S/C17H25ClN2/c1-2-20(16-5-3-4-6-16)17-11-14(18)8-7-13(17)12-19-15-9-10-15/h7-8,11,15-16,19H,2-6,9-10,12H2,1H3
InChIKeyGRYYIWSSJIONDA-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclohexyl-N-ethyl-2-(methylaminomethyl)aniline
CID 43280941
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
2-(2-aminopropyl)-4-chloro-N-cyclopentyl-N-ethylaniline
CID 114860609
5-chloro-2-[(cyclopropylamino)methyl]-N-(4-fluorophenyl)-N-methylaniline
CID 114850424
5-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848953
5-bromo-N-butyl-N-cyclopropyl-2-[(cyclopropylamino)methyl]aniline
CID 63550990
4-N-(7-chloroquinolin-4-yl)-1-N,4-N-diethylcyclohexane-1,4-diamine
CID 66921322
5-chloro-N-cyclopropyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 114849898
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
1-[5-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-3-amine
CID 114852089
2-chloro-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 81149000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline?
The IUPAC name of 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline (CID 114848269) is 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline.
What is the SMILES notation for 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline?
The canonical SMILES for 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline is CCN(c1cc(Cl)ccc1CNC1CC1)C1CCCC1.
What is the InChIKey of 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline?
The InChIKey is GRYYIWSSJIONDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-2-20(16-5-3-4-6-16)17-11-14(18)8-7-13(17)12-19-15-9-10-15/h7-8,11,15-16,19H,2-6,9-10,12H2,1H3.
What are the key properties of 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline?
5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline has a molecular weight of 292.85 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline is sourced from PubChem (CID 114848269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).