N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine

C17H21FN2 — CID 61413647

IUPACN'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-20(13-14-7-9-16(18)10-8-14)12-11-17(19)15-5-3-2-4-6-15/h2-10,17H,11-13,19H2,1H3
InChIKeyJKRKQOBAGPXCGN-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.35
Rot. Bonds6

About N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine

N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine (PubChem CID 61413647) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
PubChem CID61413647
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
SMILESCN(CCC(N)c1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C17H21FN2/c1-20(13-14-7-9-16(18)10-8-14)12-11-17(19)15-5-3-2-4-6-15/h2-10,17H,11-13,19H2,1H3
InChIKeyJKRKQOBAGPXCGN-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine
CID 61414808
1-(4-chlorophenyl)-N'-[(4-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644202
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
2-(4-fluorophenyl)-N-methylacetamide;N'-methyl-N'-pent-4-enyl-1-phenylpropane-1,3-diamine
CID 142004244
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080
N'-[(4-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62617601
1-[(3-amino-3-phenylpropyl)-methylamino]propan-2-ol
CID 62613948
1-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 62629838
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
(3R)-N-benzyl-N-methyl-3-phenylbutan-1-amine;hydrate
CID 66524871

Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine (CID 61413647) is N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine is CN(CCC(N)c1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
The InChIKey is JKRKQOBAGPXCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-20(13-14-7-9-16(18)10-8-14)12-11-17(19)15-5-3-2-4-6-15/h2-10,17H,11-13,19H2,1H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine?
N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine has a molecular weight of 272.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N'-methyl-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 61413647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).