5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline

C17H23ClN2O — CID 114848828

IUPAC5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(CC)Cc1ccco1
InChIInChI=1S/C17H23ClN2O/c1-3-9-19-12-14-7-8-15(18)11-17(14)20(4-2)13-16-6-5-10-21-16/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3
InChIKeyVHRSMIXIDYRESC-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.46
Rot. Bonds8

About 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline

5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline (PubChem CID 114848828) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline
PubChem CID114848828
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccc(Cl)cc1N(CC)Cc1ccco1
InChIInChI=1S/C17H23ClN2O/c1-3-9-19-12-14-7-8-15(18)11-17(14)20(4-2)13-16-6-5-10-21-16/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3
InChIKeyVHRSMIXIDYRESC-UHFFFAOYSA-N
XLogP4.46
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114848202
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 114848827
5-chloro-N-methyl-N-(3-methylphenyl)-2-(propylaminomethyl)aniline
CID 114850483
N-[(2,5-dichlorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 65315812
N'-[5-chloro-2-(propylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 114851389
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 61423120
5-chloro-N-(cyclopropylmethyl)-N-propyl-2-(propylaminomethyl)aniline
CID 114849138
5-chloro-N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847949
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652
4-chloro-2-[[ethyl(furan-2-ylmethyl)amino]methyl]aniline
CID 79582941

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline?
The IUPAC name of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline (CID 114848828) is 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline.
What is the SMILES notation for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline?
The canonical SMILES for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline is CCCNCc1ccc(Cl)cc1N(CC)Cc1ccco1.
What is the InChIKey of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline?
The InChIKey is VHRSMIXIDYRESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-3-9-19-12-14-7-8-15(18)11-17(14)20(4-2)13-16-6-5-10-21-16/h5-8,10-11,19H,3-4,9,12-13H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline?
5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline has a molecular weight of 306.84 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)aniline is sourced from PubChem (CID 114848828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).