1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine

C16H19FN2 — CID 116907154

IUPAC1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc(F)cc1)c1ccc(CN)cc1
InChIInChI=1S/C16H19FN2/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(11-18)4-6-13/h3-10,16H,11,18H2,1-2H3
InChIKeyLOVWWMBIVSQZCT-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.94
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine

1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine (PubChem CID 116907154) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
PubChem CID116907154
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine
SMILESCN(C)C(c1ccc(F)cc1)c1ccc(CN)cc1
InChIInChI=1S/C16H19FN2/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(11-18)4-6-13/h3-10,16H,11,18H2,1-2H3
InChIKeyLOVWWMBIVSQZCT-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(4-fluorophenyl)methanamine
CID 142071105
1-[4-(aminomethyl)phenyl]-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 43575790
[4-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 60921319
[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 106905327
N'-[(4-fluorophenyl)methyl]-N'-methylmethanediamine
CID 115225832
1-(4-fluorophenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913486
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
1-butan-2-yl-4-(4-fluorophenyl)benzene;phenylmethanamine
CID 70595224

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine (CID 116907154) is 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine is CN(C)C(c1ccc(F)cc1)c1ccc(CN)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
The InChIKey is LOVWWMBIVSQZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-19(2)16(14-7-9-15(17)10-8-14)13-5-3-12(11-18)4-6-13/h3-10,16H,11,18H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine?
1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine has a molecular weight of 258.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-1-(4-fluorophenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 116907154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).