1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

C18H22FNO — CID 60956086

IUPAC1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNC(C)c2cccc(F)c2)c1
InChIInChI=1S/C18H22FNO/c1-3-10-21-18-9-4-6-15(11-18)13-20-14(2)16-7-5-8-17(19)12-16/h4-9,11-12,14,20H,3,10,13H2,1-2H3
InChIKeyKILMSIDTHONXJA-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.47
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine

1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (PubChem CID 60956086) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
PubChem CID60956086
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cccc(CNC(C)c2cccc(F)c2)c1
InChIInChI=1S/C18H22FNO/c1-3-10-21-18-9-4-6-15(11-18)13-20-14(2)16-7-5-8-17(19)12-16/h4-9,11-12,14,20H,3,10,13H2,1-2H3
InChIKeyKILMSIDTHONXJA-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81352016
1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60958113
(1R)-1-(4-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81347368
1-(4-bromophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955137
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
(1S)-1-(2-methylphenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81363781
(1R)-1-(furan-2-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81403687
1-phenyl-N-[(3-propoxyphenyl)methyl]propan-1-amine
CID 54848596
4-[3-[[1-(3-ethoxyphenyl)ethylamino]methyl]phenoxy]butanenitrile
CID 119109131
(1S)-1-(3-bromophenyl)-N-[(3-ethoxyphenyl)methyl]ethanamine
CID 81382438
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine (CID 60956086) is 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is CCCOc1cccc(CNC(C)c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
The InChIKey is KILMSIDTHONXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-10-21-18-9-4-6-15(11-18)13-20-14(2)16-7-5-8-17(19)12-16/h4-9,11-12,14,20H,3,10,13H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine?
1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60956086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).