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

C15H19ClN2O — CID 81149232

IUPAC2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCCNCc1ccc(N(C)Cc2ccco2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-3-17-10-12-6-7-15(14(16)9-12)18(2)11-13-5-4-8-19-13/h4-9,17H,3,10-11H2,1-2H3
InChIKeyAAQOSJRFMVNWGU-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.68
Rot. Bonds6

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

2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline (PubChem CID 81149232) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
PubChem CID81149232
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCCNCc1ccc(N(C)Cc2ccco2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O/c1-3-17-10-12-6-7-15(14(16)9-12)18(2)11-13-5-4-8-19-13/h4-9,17H,3,10-11H2,1-2H3
InChIKeyAAQOSJRFMVNWGU-UHFFFAOYSA-N
XLogP3.68
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 81143889
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
2-chloro-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62908849
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652
N-[[4-[[ethyl(furan-2-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62461578
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
CID 81149499
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
4-(aminomethyl)-2-chloro-N-ethyl-N-(furan-2-ylmethyl)aniline
CID 63087512
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62121534
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-propan-2-ylaniline
CID 81148688

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline?
The IUPAC name of 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline (CID 81149232) is 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline?
The canonical SMILES for 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline is CCNCc1ccc(N(C)Cc2ccco2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline?
The InChIKey is AAQOSJRFMVNWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-17-10-12-6-7-15(14(16)9-12)18(2)11-13-5-4-8-19-13/h4-9,17H,3,10-11H2,1-2H3.
What are the key properties of 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline?
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline has a molecular weight of 278.78 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 81149232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).