3-[(4-chloro-N-ethylanilino)methyl]aniline

C15H17ClN2 — CID 143248612

IUPAC3-[(4-chloro-N-ethylanilino)methyl]aniline
SMILESCCN(Cc1cccc(N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-2-18(15-8-6-13(16)7-9-15)11-12-4-3-5-14(17)10-12/h3-10H,2,11,17H2,1H3
InChIKeyNVSDDMJJMSWWML-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.95
Rot. Bonds4

About 3-[(4-chloro-N-ethylanilino)methyl]aniline

3-[(4-chloro-N-ethylanilino)methyl]aniline (PubChem CID 143248612) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 3-[(4-chloro-N-ethylanilino)methyl]aniline.

Molecular Properties

Compound Name3-[(4-chloro-N-ethylanilino)methyl]aniline
PubChem CID143248612
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name3-[(4-chloro-N-ethylanilino)methyl]aniline
SMILESCCN(Cc1cccc(N)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2/c1-2-18(15-8-6-13(16)7-9-15)11-12-4-3-5-14(17)10-12/h3-10H,2,11,17H2,1H3
InChIKeyNVSDDMJJMSWWML-UHFFFAOYSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 103038313
2-[(3-aminophenyl)methyl-ethylamino]-4-chlorobenzonitrile
CID 63083830
3-[[(3-chlorophenyl)methyl-ethylamino]methyl]aniline
CID 43459137
4-[(3-aminophenyl)methyl-ethylamino]-2-methylbenzonitrile
CID 81278698
4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
CID 107882083
3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine
CID 23385975
3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
CID 65347516
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
4-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60877204
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine
CID 112676261
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
3-[[(4-chloro-3-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 107881986

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-N-ethylanilino)methyl]aniline?
The IUPAC name of 3-[(4-chloro-N-ethylanilino)methyl]aniline (CID 143248612) is 3-[(4-chloro-N-ethylanilino)methyl]aniline.
What is the SMILES notation for 3-[(4-chloro-N-ethylanilino)methyl]aniline?
The canonical SMILES for 3-[(4-chloro-N-ethylanilino)methyl]aniline is CCN(Cc1cccc(N)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chloro-N-ethylanilino)methyl]aniline?
The InChIKey is NVSDDMJJMSWWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-2-18(15-8-6-13(16)7-9-15)11-12-4-3-5-14(17)10-12/h3-10H,2,11,17H2,1H3.
What are the key properties of 3-[(4-chloro-N-ethylanilino)methyl]aniline?
3-[(4-chloro-N-ethylanilino)methyl]aniline has a molecular weight of 260.77 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-N-ethylanilino)methyl]aniline is sourced from PubChem (CID 143248612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).