1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine

C16H19FN2 — CID 62487752

IUPAC1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(CC(C)(N)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-16(18,13-7-4-3-5-8-13)12-19(2)15-10-6-9-14(17)11-15/h3-11H,12,18H2,1-2H3
InChIKeyFXYMXWMTDZRCMN-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.14
Rot. Bonds4

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

1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine (PubChem CID 62487752) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
PubChem CID62487752
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine
SMILESCN(CC(C)(N)c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C16H19FN2/c1-16(18,13-7-4-3-5-8-13)12-19(2)15-10-6-9-14(17)11-15/h3-11H,12,18H2,1-2H3
InChIKeyFXYMXWMTDZRCMN-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-fluoro-N-methylanilino)-2-phenylpropan-1-ol
CID 64790753
2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259102
N-(3-fluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204355
3-(3-fluoro-N-methylanilino)-2,2-dimethyl-1-phenylpropan-1-one
CID 63193607
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
1-N-(3-fluorophenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453425
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344
N-tert-butyl-2-ethyl-N'-(3-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 63495763
1-amino-2-cyclopropyl-3-(3-fluoro-N-methylanilino)propan-2-ol
CID 64818513
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447
2,2-diethyl-N-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62259628

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine (CID 62487752) is 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine is CN(CC(C)(N)c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
The InChIKey is FXYMXWMTDZRCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-16(18,13-7-4-3-5-8-13)12-19(2)15-10-6-9-14(17)11-15/h3-11H,12,18H2,1-2H3.
What are the key properties of 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine?
1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-fluorophenyl)-1-N-methyl-2-phenylpropane-1,2-diamine is sourced from PubChem (CID 62487752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).