N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine

C17H20FNO — CID 82811010

IUPACN-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(OC)c2F)cc1
InChIInChI=1S/C17H20FNO/c1-3-11-19-12-13-7-9-14(10-8-13)15-5-4-6-16(20-2)17(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyDGXPBGYTGGFQOS-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.00
Rot. Bonds6

About N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine

N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine (PubChem CID 82811010) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
PubChem CID82811010
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cccc(OC)c2F)cc1
InChIInChI=1S/C17H20FNO/c1-3-11-19-12-13-7-9-14(10-8-13)15-5-4-6-16(20-2)17(15)18/h4-10,19H,3,11-12H2,1-2H3
InChIKeyDGXPBGYTGGFQOS-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105409446
N-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63989406
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-[[4-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63423947
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
N-[[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66480035
N-[[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 81431993
4-[[4-(2-methoxyphenyl)phenyl]methylamino]butanoic acid
CID 122035871

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine (CID 82811010) is N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cccc(OC)c2F)cc1.
What is the InChIKey of N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is DGXPBGYTGGFQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-11-19-12-13-7-9-14(10-8-13)15-5-4-6-16(20-2)17(15)18/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine?
N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 82811010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).