3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline

C16H19ClN2O — CID 43527133

IUPAC3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccco1)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H19ClN2O/c1-19(11-13-4-3-9-20-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2-6,9,12,18H,7-8,10-11H2,1H3
InChIKeyQBGXAARSPSYHEH-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.82
Rot. Bonds6

About 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline

3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline (PubChem CID 43527133) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
PubChem CID43527133
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCN(Cc1ccco1)c1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C16H19ClN2O/c1-19(11-13-4-3-9-20-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2-6,9,12,18H,7-8,10-11H2,1H3
InChIKeyQBGXAARSPSYHEH-UHFFFAOYSA-N
XLogP3.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-propylaniline
CID 43281893
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
3-chloro-N-(cyclohexylmethyl)-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 63552294
5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 114925517
2-[3-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]-N,N-dimethylacetamide
CID 43375220
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61431824
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
6-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 62280784
4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43527108
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 61423120
3-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylphenyl)aniline
CID 63551219
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline?
The IUPAC name of 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline (CID 43527133) is 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline?
The canonical SMILES for 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline is CN(Cc1ccco1)c1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline?
The InChIKey is QBGXAARSPSYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-19(11-13-4-3-9-20-13)16-6-2-5-15(17)14(16)10-18-12-7-8-12/h2-6,9,12,18H,7-8,10-11H2,1H3.
What are the key properties of 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline?
3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline has a molecular weight of 290.79 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 43527133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).