3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline

C17H27ClN2O — CID 63059854

IUPAC3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCN(c1cccc(Cl)c1CNCCOC)C1CCCC1
InChIInChI=1S/C17H27ClN2O/c1-3-20(14-7-4-5-8-14)17-10-6-9-16(18)15(17)13-19-11-12-21-2/h6,9-10,14,19H,3-5,7-8,11-13H2,1-2H3
InChIKeyQRPIYIYDPAYPQG-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.84
Rot. Bonds8

About 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline

3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline (PubChem CID 63059854) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
PubChem CID63059854
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
SMILESCCN(c1cccc(Cl)c1CNCCOC)C1CCCC1
InChIInChI=1S/C17H27ClN2O/c1-3-20(14-7-4-5-8-14)17-10-6-9-16(18)15(17)13-19-11-12-21-2/h6,9-10,14,19H,3-5,7-8,11-13H2,1-2H3
InChIKeyQRPIYIYDPAYPQG-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-cyclohexyl-N-ethyl-2-(propylaminomethyl)aniline
CID 43280959
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978
3-chloro-2-(chloromethyl)-N-cyclopentyl-N-ethylaniline
CID 43541411
[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
CID 28945722
2-(aminomethyl)-3-chloro-N-cyclohexyl-N-ethylaniline
CID 28965176
N-butan-2-yl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058596
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
3-chloro-2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-methylbutyl)aniline
CID 63060562
N-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320108
2-[3-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]ethanol
CID 63059522
3-chloro-1-N-cyclopentyl-1-N-ethylbenzene-1,2-diamine
CID 104834130

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The IUPAC name of 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline (CID 63059854) is 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline.
What is the SMILES notation for 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The canonical SMILES for 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline is CCN(c1cccc(Cl)c1CNCCOC)C1CCCC1.
What is the InChIKey of 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
The InChIKey is QRPIYIYDPAYPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-3-20(14-7-4-5-8-14)17-10-6-9-16(18)15(17)13-19-11-12-21-2/h6,9-10,14,19H,3-5,7-8,11-13H2,1-2H3.
What are the key properties of 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline?
3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline has a molecular weight of 310.87 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline is sourced from PubChem (CID 63059854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).