N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine

C18H22FNO — CID 63425081

IUPACN-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
SMILESCCCOc1ccc(-c2ccc(CNCC)c(F)c2)cc1
InChIInChI=1S/C18H22FNO/c1-3-11-21-17-9-7-14(8-10-17)15-5-6-16(13-20-4-2)18(19)12-15/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyIEPXWANSHFSHKU-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.39
Rot. Bonds7

About N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine

N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine (PubChem CID 63425081) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
PubChem CID63425081
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine
SMILESCCCOc1ccc(-c2ccc(CNCC)c(F)c2)cc1
InChIInChI=1S/C18H22FNO/c1-3-11-21-17-9-7-14(8-10-17)15-5-6-16(13-20-4-2)18(19)12-15/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKeyIEPXWANSHFSHKU-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-fluoro-5-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 63425036
N-[[2-fluoro-4-(4-propan-2-ylphenyl)phenyl]methyl]ethanamine
CID 63424855
N-[[2-(4-propoxyphenyl)phenyl]methyl]ethanamine
CID 62796087
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-[[2-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 61033400
N-[[4-(3-chloro-4-methylphenyl)-2-fluorophenyl]methyl]ethanamine
CID 115504105
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
N-[[2-fluoro-4-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]ethanamine
CID 106879302
1-ethyl-2,3-difluoro-4-[[4-(3-fluoro-4-propylphenyl)phenoxy]methyl]benzene
CID 70961305
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
N-[[2-fluoro-4-(3-fluorophenyl)phenyl]methyl]propan-1-amine
CID 54911581

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine (CID 63425081) is N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine is CCCOc1ccc(-c2ccc(CNCC)c(F)c2)cc1.
What is the InChIKey of N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine?
The InChIKey is IEPXWANSHFSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-11-21-17-9-7-14(8-10-17)15-5-6-16(13-20-4-2)18(19)12-15/h5-10,12,20H,3-4,11,13H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine?
N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-(4-propoxyphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63425081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).