2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline

C17H27ClN2 — CID 63533268

IUPAC2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(N(CC)C2CCCC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-4-19-13(3)14-10-11-17(16(18)12-14)20(5-2)15-8-6-7-9-15/h10-13,15,19H,4-9H2,1-3H3
InChIKeyFWUFMARJVMLEGG-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.78
Rot. Bonds6

About 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline

2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline (PubChem CID 63533268) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
PubChem CID63533268
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
SMILESCCNC(C)c1ccc(N(CC)C2CCCC2)c(Cl)c1
InChIInChI=1S/C17H27ClN2/c1-4-19-13(3)14-10-11-17(16(18)12-14)20(5-2)15-8-6-7-9-15/h10-13,15,19H,4-9H2,1-3H3
InChIKeyFWUFMARJVMLEGG-UHFFFAOYSA-N
XLogP4.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(cyclobutylmethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 107399202
N-cyclohexyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284232
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
N-cyclopentyl-4-[1-(ethylamino)ethyl]-2-fluoro-N-methylaniline
CID 43284607
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
2-[2-chloro-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 102863479
2-chloro-N-cyclohexyl-N-ethyl-4-(ethylaminomethyl)aniline
CID 81148757
N-[4-[1-(ethylamino)ethyl]-2-fluorophenyl]-N-methylcycloheptanamine
CID 43614154
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
2-chloro-N-cyclopentyl-N-ethyl-4-(methylaminomethyl)aniline
CID 81149000
1-(3-chloro-4-cyclopentylsulfanylphenyl)-N-ethylethanamine
CID 63532172
N,N-dibutyl-2-chloro-4-[1-(ethylamino)ethyl]aniline
CID 63532224

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The IUPAC name of 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline (CID 63533268) is 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The canonical SMILES for 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline is CCNC(C)c1ccc(N(CC)C2CCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
The InChIKey is FWUFMARJVMLEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-4-19-13(3)14-10-11-17(16(18)12-14)20(5-2)15-8-6-7-9-15/h10-13,15,19H,4-9H2,1-3H3.
What are the key properties of 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline?
2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline has a molecular weight of 294.87 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopentyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline is sourced from PubChem (CID 63533268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).