N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

C16H20ClNO — CID 105029948

IUPACN-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H20ClNO/c1-3-7-18-16(10-13-6-8-19-11-13)14-4-5-15(17)12(2)9-14/h4-6,8-9,11,16,18H,3,7,10H2,1-2H3
InChIKeyHGJCHLFBTVYJGS-UHFFFAOYSA-N
MW277.80 g/mol
LogP4.52
Rot. Bonds6

About N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine

N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (PubChem CID 105029948) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
PubChem CID105029948
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC NameN-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccoc1)c1ccc(Cl)c(C)c1
InChIInChI=1S/C16H20ClNO/c1-3-7-18-16(10-13-6-8-19-11-13)14-4-5-15(17)12(2)9-14/h4-6,8-9,11,16,18H,3,7,10H2,1-2H3
InChIKeyHGJCHLFBTVYJGS-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 ≤ 500277.80
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromo-3-chlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030232
N-[1-(2,5-dichlorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030186
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029671
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
N-[2-(furan-3-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105177828
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718
N-[1-(4-ethoxyphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029819
N-[1-(3-chloro-2-fluorophenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 83176143
[1-(3,4-dimethylphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331703
N-[1-[3-(difluoromethoxy)phenyl]-2-(furan-3-yl)ethyl]propan-1-amine
CID 105030005
N-[1-(3-chloro-4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 63527074
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine (CID 105029948) is N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccoc1)c1ccc(Cl)c(C)c1.
What is the InChIKey of N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
The InChIKey is HGJCHLFBTVYJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-3-7-18-16(10-13-6-8-19-11-13)14-4-5-15(17)12(2)9-14/h4-6,8-9,11,16,18H,3,7,10H2,1-2H3.
What are the key properties of N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine?
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine has a molecular weight of 277.80 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-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105029948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).