1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine

C18H23FN2 — CID 65487482

IUPAC1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCc1ccccc1)CCC(N)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-21(13-11-15-7-3-2-4-8-15)14-12-18(20)16-9-5-6-10-17(16)19/h2-10,18H,11-14,20H2,1H3
InChIKeyKZZQVPXPZJFUPP-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.39
Rot. Bonds7

About 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine

1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine (PubChem CID 65487482) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
PubChem CID65487482
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
SMILESCN(CCc1ccccc1)CCC(N)c1ccccc1F
InChIInChI=1S/C18H23FN2/c1-21(13-11-15-7-3-2-4-8-15)14-12-18(20)16-9-5-6-10-17(16)19/h2-10,18H,11-14,20H2,1H3
InChIKeyKZZQVPXPZJFUPP-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-1-(2-methylphenyl)-N'-(2-phenylethyl)propane-1,3-diamine
CID 65488249
N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074159
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010
N'-(3-amino-3-naphthalen-1-ylpropyl)-N'-methyl-1-naphthalen-1-ylpropane-1,3-diamine
CID 57188438
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine (CID 65487482) is 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine is CN(CCc1ccccc1)CCC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
The InChIKey is KZZQVPXPZJFUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-21(13-11-15-7-3-2-4-8-15)14-12-18(20)16-9-5-6-10-17(16)19/h2-10,18H,11-14,20H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine?
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine has a molecular weight of 286.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine is sourced from PubChem (CID 65487482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).