2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine

C14H22F2N2 — CID 120966511

IUPAC2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H22F2N2/c1-10(2)14(3,9-17)18-8-11-4-6-12(7-5-11)13(15)16/h4-7,10,13,18H,8-9,17H2,1-3H3
InChIKeyMVZSZSRWBFYWEX-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.09
Rot. Bonds6

About 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine

2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine (PubChem CID 120966511) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
PubChem CID120966511
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC Name2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H22F2N2/c1-10(2)14(3,9-17)18-8-11-4-6-12(7-5-11)13(15)16/h4-7,10,13,18H,8-9,17H2,1-3H3
InChIKeyMVZSZSRWBFYWEX-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
CID 119929198
3-[[4-(difluoromethyl)phenyl]methylamino]-2,3-dimethylbutan-2-ol
CID 104709064
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
N-[[4-(difluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 115523367
2-N-[2-(3,4-difluorophenyl)ethyl]-2,3-dimethylbutane-1,2-diamine
CID 112738187
2-N-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 120966503
2-N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 113267779
2-N-[(5-bromothiophen-2-yl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929224
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine (CID 120966511) is 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)NCc1ccc(C(F)F)cc1.
What is the InChIKey of 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine?
The InChIKey is MVZSZSRWBFYWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-10(2)14(3,9-17)18-8-11-4-6-12(7-5-11)13(15)16/h4-7,10,13,18H,8-9,17H2,1-3H3.
What are the key properties of 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine?
2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine has a molecular weight of 256.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[4-(difluoromethyl)phenyl]methyl]-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 120966511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).