3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline

C16H21ClN2O — CID 61423120

IUPAC3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
SMILESCCNCc1c(Cl)cccc1N(CC)Cc1ccco1
InChIInChI=1S/C16H21ClN2O/c1-3-18-11-14-15(17)8-5-9-16(14)19(4-2)12-13-7-6-10-20-13/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyIQISJLGOUKVAPN-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.07
Rot. Bonds7

About 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline

3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline (PubChem CID 61423120) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
PubChem CID61423120
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
SMILESCCNCc1c(Cl)cccc1N(CC)Cc1ccco1
InChIInChI=1S/C16H21ClN2O/c1-3-18-11-14-15(17)8-5-9-16(14)19(4-2)12-13-7-6-10-20-13/h5-10,18H,3-4,11-12H2,1-2H3
InChIKeyIQISJLGOUKVAPN-UHFFFAOYSA-N
XLogP4.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
CID 43281523
1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79390759
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551401
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527133
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline
CID 114848828
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
CID 63059873

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline (CID 61423120) is 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline is CCNCc1c(Cl)cccc1N(CC)Cc1ccco1.
What is the InChIKey of 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
The InChIKey is IQISJLGOUKVAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-3-18-11-14-15(17)8-5-9-16(14)19(4-2)12-13-7-6-10-20-13/h5-10,18H,3-4,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline?
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline has a molecular weight of 292.81 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 61423120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).