N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine

C16H20ClNO — CID 107103017

IUPACN-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1cccc(Cl)c1C
InChIInChI=1S/C16H20ClNO/c1-3-9-18-16(11-13-6-5-10-19-13)14-7-4-8-15(17)12(14)2/h4-8,10,16,18H,3,9,11H2,1-2H3
InChIKeyOSBMURZYPYIBKI-UHFFFAOYSA-N
MW277.79 g/mol
LogP4.52
Rot. Bonds6

About N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine

N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 107103017) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID107103017
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC NameN-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1cccc(Cl)c1C
InChIInChI=1S/C16H20ClNO/c1-3-9-18-16(11-13-6-5-10-19-13)14-7-4-8-15(17)12(14)2/h4-8,10,16,18H,3,9,11H2,1-2H3
InChIKeyOSBMURZYPYIBKI-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 107103801
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335
N-[1-(3-chloro-2-methylphenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 107102196
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83176044
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
1-(3-chloro-2-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 107103011
1-(3-chloro-2-methylphenyl)-N-propylpent-4-yn-1-amine
CID 107102355
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 83182976
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029261
1-(3-chloro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 107102031

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (CID 107103017) is N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1cccc(Cl)c1C.
What is the InChIKey of N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is OSBMURZYPYIBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-3-9-18-16(11-13-6-5-10-19-13)14-7-4-8-15(17)12(14)2/h4-8,10,16,18H,3,9,11H2,1-2H3.
What are the key properties of N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 277.79 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 107103017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).