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

C17H20FNO — CID 115790055

IUPACN-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO/c1-4-19-17(13-7-5-6-12(2)10-13)14-8-9-15(18)16(11-14)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyWWCAUZDTCQHIAL-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds5

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

N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 115790055) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID115790055
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO/c1-4-19-17(13-7-5-6-12(2)10-13)14-8-9-15(18)16(11-14)20-3/h5-11,17,19H,4H2,1-3H3
InChIKeyWWCAUZDTCQHIAL-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]propan-1-amine
CID 115789718
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(2,6-difluoro-4-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60964653
N-[(4-chloro-2-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 105022572
N-[(5-bromofuran-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81283890
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-[(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 102827490
N-[(4-ethylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491470

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine (CID 115790055) is N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)c1ccc(F)c(OC)c1.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is WWCAUZDTCQHIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-17(13-7-5-6-12(2)10-13)14-8-9-15(18)16(11-14)20-3/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine?
N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115790055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).