N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine

C18H22FNO — CID 103757279

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(CNC(C)CCc2ccccc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-14(8-9-15-6-4-3-5-7-15)20-13-16-10-11-17(21-2)12-18(16)19/h3-7,10-12,14,20H,8-9,13H2,1-2H3
InChIKeyIOKQULWBJTVCCI-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds7

About N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine

N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine (PubChem CID 103757279) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
PubChem CID103757279
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
SMILESCOc1ccc(CNC(C)CCc2ccccc2)c(F)c1
InChIInChI=1S/C18H22FNO/c1-14(8-9-15-6-4-3-5-7-15)20-13-16-10-11-17(21-2)12-18(16)19/h3-7,10-12,14,20H,8-9,13H2,1-2H3
InChIKeyIOKQULWBJTVCCI-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 113357039
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068
4-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]butan-2-amine
CID 60913277
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
2-fluoro-6-[(4-phenylbutan-2-ylamino)methyl]phenol
CID 115951015
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
N-[(2-bromo-5-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63452332
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine (CID 103757279) is N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine is COc1ccc(CNC(C)CCc2ccccc2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is IOKQULWBJTVCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14(8-9-15-6-4-3-5-7-15)20-13-16-10-11-17(21-2)12-18(16)19/h3-7,10-12,14,20H,8-9,13H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.95, 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-methoxyphenyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 103757279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).