N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine

C24H27FN2O — CID 78870842

IUPACN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccccc2-c2ccc(CN(C)C)cc2)cc1F
InChIInChI=1S/C24H27FN2O/c1-27(2)17-18-8-11-20(12-9-18)22-7-5-4-6-21(22)16-26-15-19-10-13-24(28-3)23(25)14-19/h4-14,26H,15-17H2,1-3H3
InChIKeyFPXGWULQRIVLDB-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.85
Rot. Bonds8

About N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 78870842) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID78870842
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC NameN-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccccc2-c2ccc(CN(C)C)cc2)cc1F
InChIInChI=1S/C24H27FN2O/c1-27(2)17-18-8-11-20(12-9-18)22-7-5-4-6-21(22)16-26-15-19-10-13-24(28-3)23(25)14-19/h4-14,26H,15-17H2,1-3H3
InChIKeyFPXGWULQRIVLDB-UHFFFAOYSA-N
XLogP4.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55549362
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2-methoxybenzamide
CID 24661049
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43090366
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenyl]methanol
CID 111466497
N-[3-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38260333
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 71890514
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
N-[[3-fluoro-4-(2-methoxyphenyl)phenyl]methyl]ethanamine
CID 81447834
2,2-difluoro-3-[(3-fluoro-4-methoxyphenyl)methylamino]propan-1-ol
CID 113462742
1-(3-fluoro-4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60961935

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine (CID 78870842) is N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine is COc1ccc(CNCc2ccccc2-c2ccc(CN(C)C)cc2)cc1F.
What is the InChIKey of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is FPXGWULQRIVLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-27(2)17-18-8-11-20(12-9-18)22-7-5-4-6-21(22)16-26-15-19-10-13-24(28-3)23(25)14-19/h4-14,26H,15-17H2,1-3H3.
What are the key properties of N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine?
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 378.49 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 78870842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).