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

C18H22FNO — CID 105409446

IUPACN-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cccc(OC)c2F)c1
InChIInChI=1S/C18H22FNO/c1-4-10-20-12-14-9-8-13(2)16(11-14)15-6-5-7-17(21-3)18(15)19/h5-9,11,20H,4,10,12H2,1-3H3
InChIKeySFJHZZJXSOEHOG-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.31
Rot. Bonds6

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

N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine (PubChem CID 105409446) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
PubChem CID105409446
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(C)c(-c2cccc(OC)c2F)c1
InChIInChI=1S/C18H22FNO/c1-4-10-20-12-14-9-8-13(2)16(11-14)15-6-5-7-17(21-3)18(15)19/h5-9,11,20H,4,10,12H2,1-3H3
InChIKeySFJHZZJXSOEHOG-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

Analyze N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 82811010
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
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-chloro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107659563
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[3-fluoro-4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 81431993
N-[[4-(2-ethoxyphenyl)-3-fluorophenyl]methyl]propan-1-amine
CID 81432612
N-[[4-(2-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66479253
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
N-[[3-(2,5-dimethoxyphenyl)-4-methylphenyl]methyl]ethanamine
CID 105408656

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine (CID 105409446) is N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine is CCCNCc1ccc(C)c(-c2cccc(OC)c2F)c1.
What is the InChIKey of N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
The InChIKey is SFJHZZJXSOEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-10-20-12-14-9-8-13(2)16(11-14)15-6-5-7-17(21-3)18(15)19/h5-9,11,20H,4,10,12H2,1-3H3.
What are the key properties of N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine?
N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoro-3-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine is sourced from PubChem (CID 105409446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).