2-(aminomethyl)-3-chloro-N-ethylaniline

C9H13ClN2 — CID 62501434

IUPAC2-(aminomethyl)-3-chloro-N-ethylaniline
SMILESCCNc1cccc(Cl)c1CN
InChIInChI=1S/C9H13ClN2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5,12H,2,6,11H2,1H3
InChIKeyDHWRRKNTFJUGHB-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.23
Rot. Bonds3

About 2-(aminomethyl)-3-chloro-N-ethylaniline

2-(aminomethyl)-3-chloro-N-ethylaniline (PubChem CID 62501434) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chloro-N-ethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-3-chloro-N-ethylaniline
PubChem CID62501434
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-(aminomethyl)-3-chloro-N-ethylaniline
SMILESCCNc1cccc(Cl)c1CN
InChIInChI=1S/C9H13ClN2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5,12H,2,6,11H2,1H3
InChIKeyDHWRRKNTFJUGHB-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chloro-N-ethylaniline?
The IUPAC name of 2-(aminomethyl)-3-chloro-N-ethylaniline (CID 62501434) is 2-(aminomethyl)-3-chloro-N-ethylaniline.
What is the SMILES notation for 2-(aminomethyl)-3-chloro-N-ethylaniline?
The canonical SMILES for 2-(aminomethyl)-3-chloro-N-ethylaniline is CCNc1cccc(Cl)c1CN.
What is the InChIKey of 2-(aminomethyl)-3-chloro-N-ethylaniline?
The InChIKey is DHWRRKNTFJUGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5,12H,2,6,11H2,1H3.
What are the key properties of 2-(aminomethyl)-3-chloro-N-ethylaniline?
2-(aminomethyl)-3-chloro-N-ethylaniline has a molecular weight of 184.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chloro-N-ethylaniline is sourced from PubChem (CID 62501434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).