N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine

C18H23FN2 — CID 62260635

IUPACN-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(C)c1ccccc1F)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-18(13-20-2,15-9-5-4-6-10-15)14-21(3)17-12-8-7-11-16(17)19/h4-12,20H,13-14H2,1-3H3
InChIKeySFIOAEOJOBSLAT-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.44
Rot. Bonds6

About N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine

N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine (PubChem CID 62260635) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine
PubChem CID62260635
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine
SMILESCNCC(C)(CN(C)c1ccccc1F)c1ccccc1
InChIInChI=1S/C18H23FN2/c1-18(13-20-2,15-9-5-4-6-10-15)14-21(3)17-12-8-7-11-16(17)19/h4-12,20H,13-14H2,1-3H3
InChIKeySFIOAEOJOBSLAT-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62258012
N,N',2-trimethyl-2-phenyl-N'-(thiolan-3-yl)propane-1,3-diamine
CID 62262755
3-(2-fluoro-N-methylanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64792340
2-[cyclopropyl-[2-methyl-3-(methylamino)-2-phenylpropyl]amino]ethanol
CID 55056120
2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64790739
2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
N-cyclopropyl-N',2-dimethyl-N-(3-methylbutyl)-2-phenylpropane-1,3-diamine
CID 78987346
2,3,3,3-tetrafluoro-N-methyl-2-phenylpropan-1-amine
CID 84735274
2-fluoro-N-methyl-N-propylaniline
CID 67818828
N,N',2-trimethyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 79310034
N,N-dimethyl-1-[2-methyl-3-(methylamino)-2-phenylpropyl]piperidin-4-amine
CID 62257862
2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556414

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine?
The IUPAC name of N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine (CID 62260635) is N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine.
What is the SMILES notation for N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine?
The canonical SMILES for N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine is CNCC(C)(CN(C)c1ccccc1F)c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine?
The InChIKey is SFIOAEOJOBSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-18(13-20-2,15-9-5-4-6-10-15)14-21(3)17-12-8-7-11-16(17)19/h4-12,20H,13-14H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine?
N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N,N',2-trimethyl-2-phenylpropane-1,3-diamine is sourced from PubChem (CID 62260635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).