2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline

C14H17ClN2O — CID 114860599

IUPAC2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccco1)c1ccc(Cl)cc1CCN
InChIInChI=1S/C14H17ClN2O/c1-17(10-13-3-2-8-18-13)14-5-4-12(15)9-11(14)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyRJVASABKKDFANE-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline

2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline (PubChem CID 114860599) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
PubChem CID114860599
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccco1)c1ccc(Cl)cc1CCN
InChIInChI=1S/C14H17ClN2O/c1-17(10-13-3-2-8-18-13)14-5-4-12(15)9-11(14)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyRJVASABKKDFANE-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 114861541
2-(2-aminoethyl)-4-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860694
5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114848202
2-(2-aminoethyl)-4-chloro-N-methyl-N-(2-methylpropyl)aniline
CID 114860497
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
1-(5-chloro-2-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 114842877
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480
1-N-(furan-2-ylmethyl)-1-N-methyl-4-nitrobenzene-1,2-diamine
CID 62506135

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline (CID 114860599) is 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline is CN(Cc1ccco1)c1ccc(Cl)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline?
The InChIKey is RJVASABKKDFANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17(10-13-3-2-8-18-13)14-5-4-12(15)9-11(14)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline?
2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline has a molecular weight of 264.76 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-chloro-N-(furan-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 114860599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).