N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine

C17H20FNO — CID 61025376

IUPACN-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(F)cc2)cc1CNC(C)C
InChIInChI=1S/C17H20FNO/c1-12(2)19-11-15-10-14(6-9-17(15)20-3)13-4-7-16(18)8-5-13/h4-10,12,19H,11H2,1-3H3
InChIKeyCVTSYTYVWCNGDF-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.00
Rot. Bonds5

About N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine

N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine (PubChem CID 61025376) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
PubChem CID61025376
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
SMILESCOc1ccc(-c2ccc(F)cc2)cc1CNC(C)C
InChIInChI=1S/C17H20FNO/c1-12(2)19-11-15-10-14(6-9-17(15)20-3)13-4-7-16(18)8-5-13/h4-10,12,19H,11H2,1-3H3
InChIKeyCVTSYTYVWCNGDF-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43314159
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine
CID 63970454
4-[[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]methyl]phenol
CID 107696082
N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine
CID 107696080
3-(5-fluoro-2-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 82782140
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
methyl 4-[4-fluoro-2-[(propan-2-ylamino)methyl]phenoxy]butanoate
CID 107696219

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine (CID 61025376) is N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine is COc1ccc(-c2ccc(F)cc2)cc1CNC(C)C.
What is the InChIKey of N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine?
The InChIKey is CVTSYTYVWCNGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12(2)19-11-15-10-14(6-9-17(15)20-3)13-4-7-16(18)8-5-13/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine?
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 61025376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).