N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine

C17H20FNO — CID 62501795

IUPACN-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-3-11-19-17(15-9-4-5-10-16(15)18)13-7-6-8-14(12-13)20-2/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyLQGZLBCYEDVFSB-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.92
Rot. Bonds6

About N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine

N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 62501795) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
PubChem CID62501795
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC)c1)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-3-11-19-17(15-9-4-5-10-16(15)18)13-7-6-8-14(12-13)20-2/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyLQGZLBCYEDVFSB-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590
N-[(4-chloro-3-methoxyphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 79699083
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(3-methoxyphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66272903
N-[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102831680
N-[(3,6-dimethylpyridazin-4-yl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 105086625
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 79722130

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (CID 62501795) is N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1cccc(OC)c1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is LQGZLBCYEDVFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-11-19-17(15-9-4-5-10-16(15)18)13-7-6-8-14(12-13)20-2/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62501795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).