4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline

C16H21ClN2O — CID 114848876

IUPAC4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCCNCc1cc(Cl)ccc1N(C)Cc1ccoc1C
InChIInChI=1S/C16H21ClN2O/c1-4-18-10-14-9-15(17)5-6-16(14)19(3)11-13-7-8-20-12(13)2/h5-9,18H,4,10-11H2,1-3H3
InChIKeyVHYOGSJSOWLWPA-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.99
Rot. Bonds6

About 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline

4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (PubChem CID 114848876) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
PubChem CID114848876
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
SMILESCCNCc1cc(Cl)ccc1N(C)Cc1ccoc1C
InChIInChI=1S/C16H21ClN2O/c1-4-18-10-14-9-15(17)5-6-16(14)19(3)11-13-7-8-20-12(13)2/h5-9,18H,4,10-11H2,1-3H3
InChIKeyVHYOGSJSOWLWPA-UHFFFAOYSA-N
XLogP3.99
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline
CID 62436909
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114848763
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 61426639
[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
CID 61426736
5-chloro-2-(ethylaminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 114847739
4-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,3-oxazol-2-amine
CID 113377754
4-chloro-2-(ethylaminomethyl)-N,N-dipropylaniline
CID 114847374
4-chloro-2-(ethylaminomethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114848960
N-[(2-chlorophenyl)methyl]-2-(ethylaminomethyl)-N-methylaniline
CID 61416767
N-[[5-methyl-4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80727596

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The IUPAC name of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline (CID 114848876) is 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline.
What is the SMILES notation for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The canonical SMILES for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is CCNCc1cc(Cl)ccc1N(C)Cc1ccoc1C.
What is the InChIKey of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
The InChIKey is VHYOGSJSOWLWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-4-18-10-14-9-15(17)5-6-16(14)19(3)11-13-7-8-20-12(13)2/h5-9,18H,4,10-11H2,1-3H3.
What are the key properties of 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline?
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline has a molecular weight of 292.81 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline is sourced from PubChem (CID 114848876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).