N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine

C18H22FNO — CID 105408904

IUPACN-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCOc1ccc(F)cc1-c1cc(CNC(C)C)ccc1C
InChIInChI=1S/C18H22FNO/c1-12(2)20-11-14-6-5-13(3)16(9-14)17-10-15(19)7-8-18(17)21-4/h5-10,12,20H,11H2,1-4H3
InChIKeyIDOFUHWYWJCRIH-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.31
Rot. Bonds5

About N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine

N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine (PubChem CID 105408904) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
PubChem CID105408904
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
SMILESCOc1ccc(F)cc1-c1cc(CNC(C)C)ccc1C
InChIInChI=1S/C18H22FNO/c1-12(2)20-11-14-6-5-13(3)16(9-14)17-10-15(19)7-8-18(17)21-4/h5-10,12,20H,11H2,1-4H3
InChIKeyIDOFUHWYWJCRIH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[4-(2,4-difluorophenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552724
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]propan-2-amine
CID 105406547
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N-[[3-(2,3-difluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408883
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102986333
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
N-[[4-(2-chloro-5-fluorophenyl)-3-methylphenyl]methyl]propan-2-amine
CID 105395728

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine (CID 105408904) is N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine is COc1ccc(F)cc1-c1cc(CNC(C)C)ccc1C.
What is the InChIKey of N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
The InChIKey is IDOFUHWYWJCRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)20-11-14-6-5-13(3)16(9-14)17-10-15(19)7-8-18(17)21-4/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine?
N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-fluoro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 105408904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).