3-(aminomethyl)-5-chloro-4-ethylaniline

C9H13ClN2 — CID 174677128

IUPAC3-(aminomethyl)-5-chloro-4-ethylaniline
SMILESCCc1c(Cl)cc(N)cc1CN
InChIInChI=1S/C9H13ClN2/c1-2-8-6(5-11)3-7(12)4-9(8)10/h3-4H,2,5,11-12H2,1H3
InChIKeyALKZMPSXIOYNOD-UHFFFAOYSA-N
MW184.67 g/mol
LogP1.94
Rot. Bonds2

About 3-(aminomethyl)-5-chloro-4-ethylaniline

3-(aminomethyl)-5-chloro-4-ethylaniline (PubChem CID 174677128) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 3-(aminomethyl)-5-chloro-4-ethylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-5-chloro-4-ethylaniline
PubChem CID174677128
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name3-(aminomethyl)-5-chloro-4-ethylaniline
SMILESCCc1c(Cl)cc(N)cc1CN
InChIInChI=1S/C9H13ClN2/c1-2-8-6(5-11)3-7(12)4-9(8)10/h3-4H,2,5,11-12H2,1H3
InChIKeyALKZMPSXIOYNOD-UHFFFAOYSA-N
XLogP1.94
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-tris(aminomethyl)aniline
CID 88992453
4-amino-2-chloro-6-ethylphenol
CID 91674507
(2,3,4,5-tetraethylphenyl)methanamine;hydrochloride
CID 173013560
2,6-diethylbenzene-1,4-diamine
CID 10154207
3,5-dichloro-4-ethylsulfonylaniline
CID 106891277
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
[4,5-bis(aminomethyl)-2-ethylphenyl]methanamine
CID 70657615
6-amino-2,4-dichloro-3-ethylphenol
CID 11769652
3,5-bis(aminomethyl)-4-methoxyaniline;trihydrochloride
CID 23346960
[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine
CID 57355635
3-chloro-4-ethoxy-5-(methoxymethyl)aniline
CID 13335751
2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-chloro-4-ethylaniline?
The IUPAC name of 3-(aminomethyl)-5-chloro-4-ethylaniline (CID 174677128) is 3-(aminomethyl)-5-chloro-4-ethylaniline.
What is the SMILES notation for 3-(aminomethyl)-5-chloro-4-ethylaniline?
The canonical SMILES for 3-(aminomethyl)-5-chloro-4-ethylaniline is CCc1c(Cl)cc(N)cc1CN.
What is the InChIKey of 3-(aminomethyl)-5-chloro-4-ethylaniline?
The InChIKey is ALKZMPSXIOYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-8-6(5-11)3-7(12)4-9(8)10/h3-4H,2,5,11-12H2,1H3.
What are the key properties of 3-(aminomethyl)-5-chloro-4-ethylaniline?
3-(aminomethyl)-5-chloro-4-ethylaniline has a molecular weight of 184.67 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-chloro-4-ethylaniline is sourced from PubChem (CID 174677128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).