2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine

C14H22F2N2 — CID 112738187

IUPAC2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-10(2)14(3,9-17)18-7-6-11-4-5-12(15)13(16)8-11/h4-5,8,10,18H,6-7,9,17H2,1-3H3
InChIKeyJZICLYRGQKLWMS-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.47
Rot. Bonds6

About 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine

2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine (PubChem CID 112738187) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine
PubChem CID112738187
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)NCCc1ccc(F)c(F)c1
InChIInChI=1S/C14H22F2N2/c1-10(2)14(3,9-17)18-7-6-11-4-5-12(15)13(16)8-11/h4-5,8,10,18H,6-7,9,17H2,1-3H3
InChIKeyJZICLYRGQKLWMS-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929084
2-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566729
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
3-N-[2-(3-chloro-4-fluorophenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134949
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
N-[(4-tert-butylphenyl)methyl]-2-(3,4-difluorophenyl)ethanamine
CID 68882968
2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966511
2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966503
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine (CID 112738187) is 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)NCCc1ccc(F)c(F)c1.
What is the InChIKey of 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine?
The InChIKey is JZICLYRGQKLWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)14(3,9-17)18-7-6-11-4-5-12(15)13(16)8-11/h4-5,8,10,18H,6-7,9,17H2,1-3H3.
What are the key properties of 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine?
2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 112738187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).