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

C16H20FNO — CID 83175003

IUPACN-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H20FNO/c1-3-8-18-16(11-14-5-4-9-19-14)13-6-7-15(17)12(2)10-13/h4-7,9-10,16,18H,3,8,11H2,1-2H3
InChIKeyHJOVGUVYHQWLQS-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.01
Rot. Bonds6

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

N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 83175003) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID83175003
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(F)c(C)c1
InChIInChI=1S/C16H20FNO/c1-3-8-18-16(11-14-5-4-9-19-14)13-6-7-15(17)12(2)10-13/h4-7,9-10,16,18H,3,8,11H2,1-2H3
InChIKeyHJOVGUVYHQWLQS-UHFFFAOYSA-N
XLogP4.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105143097
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
[1-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105201563
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 83182976
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 103546676

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (CID 83175003) is N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccc(F)c(C)c1.
What is the InChIKey of N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is HJOVGUVYHQWLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-3-8-18-16(11-14-5-4-9-19-14)13-6-7-15(17)12(2)10-13/h4-7,9-10,16,18H,3,8,11H2,1-2H3.
What are the key properties of N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83175003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).