1-(3-fluorophenyl)-2-methylpropane-1,2-diamine

C10H15FN2 — CID 116932697

IUPAC1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)C(N)c1cccc(F)c1
InChIInChI=1S/C10H15FN2/c1-10(2,13)9(12)7-4-3-5-8(11)6-7/h3-6,9H,12-13H2,1-2H3
InChIKeyYGPDZXHUYFFXJQ-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.56
Rot. Bonds2

About 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine

1-(3-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 116932697) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID116932697
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)C(N)c1cccc(F)c1
InChIInChI=1S/C10H15FN2/c1-10(2,13)9(12)7-4-3-5-8(11)6-7/h3-6,9H,12-13H2,1-2H3
InChIKeyYGPDZXHUYFFXJQ-UHFFFAOYSA-N
XLogP1.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 116726326
methyl (3R)-3-amino-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 171239221
1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 46236227
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946820
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
CID 63081353
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(3-fluorophenyl)-methoxymethanamine
CID 116947347
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine (CID 116932697) is 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine is CC(C)(N)C(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is YGPDZXHUYFFXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-10(2,13)9(12)7-4-3-5-8(11)6-7/h3-6,9H,12-13H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
1-(3-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 182.24 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 116932697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).