2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine

C11H16F2N2 — CID 115137890

IUPAC2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2/c1-7(2)11(6-14)15-8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeySWAQMEAPYQVMPL-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.36
Rot. Bonds4

About 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine

2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine (PubChem CID 115137890) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
PubChem CID115137890
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1ccc(F)c(F)c1
InChIInChI=1S/C11H16F2N2/c1-7(2)11(6-14)15-8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeySWAQMEAPYQVMPL-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(4-fluoro-3-methylphenyl)-3-methylbutane-1,2-diamine
CID 115137867
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
2-N-(5-chloro-2-fluorophenyl)-3-methylbutane-1,2-diamine
CID 115137933
N'-(3,4-difluorophenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107441027
(2S)-3-methyl-2-N-phenylbutane-1,2-diamine
CID 25323651
2-(3,4-difluoroanilino)propan-1-ol
CID 130502592
2-N-(3-bromophenyl)-3-methylbutane-1,2-diamine
CID 65377898
2-(4-fluoro-3-methylanilino)-3-methylbutan-1-ol
CID 115137256
3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
CID 65192390
4-[(1-amino-3-methylbutan-2-yl)amino]-2-bromobenzonitrile
CID 107280757
2-N-(4-fluoro-3-methylphenyl)propane-1,2-diamine
CID 82503971
2-N-(4-butan-2-ylphenyl)-3-methylbutane-1,2-diamine
CID 115137874

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine (CID 115137890) is 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine is CC(C)C(CN)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine?
The InChIKey is SWAQMEAPYQVMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-7(2)11(6-14)15-8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3.
What are the key properties of 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine?
2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-difluorophenyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 115137890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).