2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine

C12H19FN2 — CID 115131868

IUPAC2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCc1cc(CNC(C)(C)CN)ccc1F
InChIInChI=1S/C12H19FN2/c1-9-6-10(4-5-11(9)13)7-15-12(2,3)8-14/h4-6,15H,7-8,14H2,1-3H3
InChIKeyMMIQRZFKKFTTFL-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.96
Rot. Bonds4

About 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine

2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine (PubChem CID 115131868) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
PubChem CID115131868
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine
SMILESCc1cc(CNC(C)(C)CN)ccc1F
InChIInChI=1S/C12H19FN2/c1-9-6-10(4-5-11(9)13)7-15-12(2,3)8-14/h4-6,15H,7-8,14H2,1-3H3
InChIKeyMMIQRZFKKFTTFL-UHFFFAOYSA-N
XLogP1.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(3-chloro-4-fluorophenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131945
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
N'-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204862
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
CID 115154630
N'-[2-(4-fluoro-3-methylphenyl)ethyl]-2,2-dimethylpropane-1,3-diamine
CID 115200147
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
2,2,2-trifluoro-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 62120717
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine (CID 115131868) is 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine is Cc1cc(CNC(C)(C)CN)ccc1F.
What is the InChIKey of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine?
The InChIKey is MMIQRZFKKFTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9-6-10(4-5-11(9)13)7-15-12(2,3)8-14/h4-6,15H,7-8,14H2,1-3H3.
What are the key properties of 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine?
2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 115131868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).