1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine

C13H14ClNO — CID 107103021

IUPAC1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine
SMILESCc1c(Cl)cccc1C(N)Cc1ccoc1
InChIInChI=1S/C13H14ClNO/c1-9-11(3-2-4-12(9)14)13(15)7-10-5-6-16-8-10/h2-6,8,13H,7,15H2,1H3
InChIKeySZTLRUKLFPGSER-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.48
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine

1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine (PubChem CID 107103021) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine
PubChem CID107103021
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine
SMILESCc1c(Cl)cccc1C(N)Cc1ccoc1
InChIInChI=1S/C13H14ClNO/c1-9-11(3-2-4-12(9)14)13(15)7-10-5-6-16-8-10/h2-6,8,13H,7,15H2,1H3
InChIKeySZTLRUKLFPGSER-UHFFFAOYSA-N
XLogP3.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 107103802
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
2-(furan-3-yl)-1-(2-iodophenyl)ethanamine
CID 105030079
2-(2-chlorophenyl)-3-(furan-3-yl)propan-1-amine
CID 83182315
2-(furan-3-yl)-1-quinolin-5-ylethanamine
CID 105177642
(3S)-3-amino-3-(3-chloro-2-methylphenyl)propan-1-ol
CID 55272388
(1S)-1-(3-chloro-2-methylphenyl)-2-methoxyethanamine
CID 131080663
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethanamine
CID 107102651
1-(3-chlorothiophen-2-yl)-2-(furan-3-yl)ethanamine
CID 105030098
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 63416558
2-(furan-3-yl)-1-(5-methylpyrimidin-2-yl)ethanamine
CID 83182184
1-(3-chloro-2-methylphenyl)decan-1-amine
CID 107102158

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine (CID 107103021) is 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine is Cc1c(Cl)cccc1C(N)Cc1ccoc1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine?
The InChIKey is SZTLRUKLFPGSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-9-11(3-2-4-12(9)14)13(15)7-10-5-6-16-8-10/h2-6,8,13H,7,15H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine?
1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine has a molecular weight of 235.71 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 107103021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).