N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

C18H22FNO — CID 43489450

IUPACN-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-4-20-18(15-7-6-13(3)17(19)12-15)14-8-10-16(11-9-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyDOJBRYVKSBAPHM-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.23
Rot. Bonds6

About N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine

N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (PubChem CID 43489450) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
PubChem CID43489450
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C18H22FNO/c1-4-20-18(15-7-6-13(3)17(19)12-15)14-8-10-16(11-9-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyDOJBRYVKSBAPHM-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)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-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130379
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
4-[bromo-(4-ethoxyphenyl)methyl]-2-fluoro-1-methylbenzene
CID 63437544
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-[(4-ethoxyphenyl)-(3-iodophenyl)methyl]ethanamine
CID 43489415
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-fluoro-4-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 107129150
N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130305

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine (CID 43489450) is N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1ccc(C)c(F)c1.
What is the InChIKey of N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
The InChIKey is DOJBRYVKSBAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-20-18(15-7-6-13(3)17(19)12-15)14-8-10-16(11-9-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine?
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).