1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine

C18H22FNO — CID 60659012

IUPAC1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CNC(C)c2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-3-12-21-16-10-8-15(9-11-16)13-20-14(2)17-6-4-5-7-18(17)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyPPCMUBXEMVTDGG-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.47
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine

1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine (PubChem CID 60659012) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
PubChem CID60659012
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(CNC(C)c2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-3-12-21-16-10-8-15(9-11-16)13-20-14(2)17-6-4-5-7-18(17)19/h4-11,14,20H,3,12-13H2,1-2H3
InChIKeyPPCMUBXEMVTDGG-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

1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 60945185
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
N-[(4-fluorophenyl)methyl]-1-[2-(2-phenoxyethoxy)phenyl]ethanamine
CID 54803862
(2S)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610490
(2R)-N-[(4-propoxyphenyl)methyl]butan-2-amine
CID 28610492
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
1-(2-fluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62997398

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine (CID 60659012) is 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(CNC(C)c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
The InChIKey is PPCMUBXEMVTDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-12-21-16-10-8-15(9-11-16)13-20-14(2)17-6-4-5-7-18(17)19/h4-11,14,20H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine?
1-(2-fluorophenyl)-N-[(4-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-(2-fluorophenyl)-N-[(4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 60659012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).