N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine

C16H18FNO — CID 43488877

IUPACN-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccccc1OC
InChIInChI=1S/C16H18FNO/c1-3-18-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)19-2/h4-11,16,18H,3H2,1-2H3
InChIKeyMKVNTCMNTYOCEH-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.53
Rot. Bonds5

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

N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine (PubChem CID 43488877) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
PubChem CID43488877
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC NameN-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(F)cc1)c1ccccc1OC
InChIInChI=1S/C16H18FNO/c1-3-18-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)19-2/h4-11,16,18H,3H2,1-2H3
InChIKeyMKVNTCMNTYOCEH-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(4-bromophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488692
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 62945872
N-[(4-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 43488835
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003
N-[(2-fluoro-6-methoxyphenyl)-(4-fluorophenyl)methyl]ethanamine
CID 65432269
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106878124
N-[(3,5-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82791869
N-[(5-fluoro-2-pyridinyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79722906
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine (CID 43488877) is N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine is CCNC(c1ccc(F)cc1)c1ccccc1OC.
What is the InChIKey of N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
The InChIKey is MKVNTCMNTYOCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-18-16(12-8-10-13(17)11-9-12)14-6-4-5-7-15(14)19-2/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine?
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43488877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).