4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline

C14H17ClN2O — CID 79582941

IUPAC4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccco1)Cc1cc(Cl)ccc1N
InChIInChI=1S/C14H17ClN2O/c1-2-17(10-13-4-3-7-18-13)9-11-8-12(15)5-6-14(11)16/h3-8H,2,9-10,16H2,1H3
InChIKeyPSAJJIALFVJBHY-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.54
Rot. Bonds5

About 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline

4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline (PubChem CID 79582941) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
PubChem CID79582941
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
SMILESCCN(Cc1ccco1)Cc1cc(Cl)ccc1N
InChIInChI=1S/C14H17ClN2O/c1-2-17(10-13-4-3-7-18-13)9-11-8-12(15)5-6-14(11)16/h3-8H,2,9-10,16H2,1H3
InChIKeyPSAJJIALFVJBHY-UHFFFAOYSA-N
XLogP3.54
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 64770417
4-chloro-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79583108
2-[[ethyl(furan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245146
2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
CID 114860599
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-3-methylbenzonitrile
CID 114481043
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-methylpyridin-2-amine
CID 62465389
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
N-ethyl-2-[2-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 115463985
4-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-methylthiophene-2-carbohydrazide
CID 80733881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline?
The IUPAC name of 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline (CID 79582941) is 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline.
What is the SMILES notation for 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline?
The canonical SMILES for 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline is CCN(Cc1ccco1)Cc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline?
The InChIKey is PSAJJIALFVJBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-2-17(10-13-4-3-7-18-13)9-11-8-12(15)5-6-14(11)16/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline?
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline has a molecular weight of 264.76 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline is sourced from PubChem (CID 79582941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).