2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline

C10H16ClN3O — CID 121326569

IUPAC2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline
SMILESCNCCOc1cc(Cl)cc(N)c1CN
InChIInChI=1S/C10H16ClN3O/c1-14-2-3-15-10-5-7(11)4-9(13)8(10)6-12/h4-5,14H,2-3,6,12-13H2,1H3
InChIKeyFXRKGJBCKLRLRG-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.98
Rot. Bonds5

About 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline

2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline (PubChem CID 121326569) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline
PubChem CID121326569
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline
SMILESCNCCOc1cc(Cl)cc(N)c1CN
InChIInChI=1S/C10H16ClN3O/c1-14-2-3-15-10-5-7(11)4-9(13)8(10)6-12/h4-5,14H,2-3,6,12-13H2,1H3
InChIKeyFXRKGJBCKLRLRG-UHFFFAOYSA-N
XLogP0.98
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine
CID 138705209
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
2-amino-6-[2-(methylamino)ethoxy]phenol
CID 58657538
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
CID 146675459
3-(2-amino-4-chlorophenoxy)propylcarbamic acid
CID 18449141
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
5-chloro-3-methoxy-2-methylaniline
CID 97179579
5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39438999
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline?
The IUPAC name of 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline (CID 121326569) is 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline.
What is the SMILES notation for 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline?
The canonical SMILES for 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline is CNCCOc1cc(Cl)cc(N)c1CN.
What is the InChIKey of 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline?
The InChIKey is FXRKGJBCKLRLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-14-2-3-15-10-5-7(11)4-9(13)8(10)6-12/h4-5,14H,2-3,6,12-13H2,1H3.
What are the key properties of 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline?
2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline has a molecular weight of 229.71 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline is sourced from PubChem (CID 121326569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).