N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine

C15H18FNO2 — CID 82808232

IUPACN-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(OC)c1F
InChIInChI=1S/C15H18FNO2/c1-3-8-17-15(11-7-9-19-10-11)12-5-4-6-13(18-2)14(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyVUINAVACLDAJIZ-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.52
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine

N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine (PubChem CID 82808232) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
PubChem CID82808232
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1)c1cccc(OC)c1F
InChIInChI=1S/C15H18FNO2/c1-3-8-17-15(11-7-9-19-10-11)12-5-4-6-13(18-2)14(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3
InChIKeyVUINAVACLDAJIZ-UHFFFAOYSA-N
XLogP3.52
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 105025146
N-[(2-fluoro-3-methoxyphenyl)-thiophen-3-ylmethyl]propan-1-amine
CID 82808330
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82808455
N-[furan-3-yl-(2-iodo-3-methylphenyl)methyl]propan-1-amine
CID 114030122
N-[(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 106645250
N-[(2-bromo-3-methylphenyl)-(furan-3-yl)methyl]propan-1-amine
CID 114024207
N-[(2-chloro-4-fluorophenyl)-(furan-3-yl)methyl]propan-1-amine
CID 63949419
N-[(3-chloro-2-pyridinyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 103444855
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[furan-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81231183

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine (CID 82808232) is N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine is CCCNC(c1ccoc1)c1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
The InChIKey is VUINAVACLDAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-3-8-17-15(11-7-9-19-10-11)12-5-4-6-13(18-2)14(12)16/h4-7,9-10,15,17H,3,8H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine?
N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine has a molecular weight of 263.31 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 82808232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).