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

C17H21FN2 — CID 115996681

IUPAC1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
SMILESCC(CN(C)c1ccccc1)C(N)c1ccccc1F
InChIInChI=1S/C17H21FN2/c1-13(12-20(2)14-8-4-3-5-9-14)17(19)15-10-6-7-11-16(15)18/h3-11,13,17H,12,19H2,1-2H3
InChIKeyRQVSXXPHVCGXBB-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.60
Rot. Bonds5

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

1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine (PubChem CID 115996681) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
PubChem CID115996681
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
SMILESCC(CN(C)c1ccccc1)C(N)c1ccccc1F
InChIInChI=1S/C17H21FN2/c1-13(12-20(2)14-8-4-3-5-9-14)17(19)15-10-6-7-11-16(15)18/h3-11,13,17H,12,19H2,1-2H3
InChIKeyRQVSXXPHVCGXBB-UHFFFAOYSA-N
XLogP3.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679793
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
(2S)-1-N-methyl-1-N-phenylpropane-1,2-diamine
CID 22689433
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
CID 112679871
1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
CID 115996898
1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 115996768
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861
N'-(4-ethylphenyl)-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62619815
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine (CID 115996681) is 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine is CC(CN(C)c1ccccc1)C(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
The InChIKey is RQVSXXPHVCGXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-13(12-20(2)14-8-4-3-5-9-14)17(19)15-10-6-7-11-16(15)18/h3-11,13,17H,12,19H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine?
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 115996681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).