3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine

C14H20F2N2 — CID 115506720

IUPAC3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(N(C)c2cc(F)cc(F)c2N)C1
InChIInChI=1S/C14H20F2N2/c1-9-4-3-5-11(6-9)18(2)13-8-10(15)7-12(16)14(13)17/h7-9,11H,3-6,17H2,1-2H3
InChIKeyIQLQEYUGBMNUQN-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.56
Rot. Bonds2

About 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine

3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine (PubChem CID 115506720) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
PubChem CID115506720
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine
SMILESCC1CCCC(N(C)c2cc(F)cc(F)c2N)C1
InChIInChI=1S/C14H20F2N2/c1-9-4-3-5-11(6-9)18(2)13-8-10(15)7-12(16)14(13)17/h7-9,11H,3-6,17H2,1-2H3
InChIKeyIQLQEYUGBMNUQN-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-Methylpiperazin-1-yl)-5-(trifluoromethyl)aniline
CID 693288
5-Fluoro-2-(4-methylpiperazin-1-yl)aniline
CID 6485406
1-(4-Ethylcyclohexyl)-4-(4-fluorophenyl)piperazine
CID 742940
2-(4-Methylpiperidin-1-yl)aniline
CID 663698
2-(4-Methylpiperidin-1-yl)-5-(trifluoromethyl)aniline
CID 729328
1-(Cyclohexylmethyl)-4-(2-fluorophenyl)piperazine
CID 782937
5-Fluoro-2-(3-methylpiperidin-1-yl)aniline hydrochloride
CID 16192915
1-(4-Ethylcyclohexyl)-4-(2-fluorophenyl)piperazine
CID 756822
1-(2-Fluorophenyl)-4-(4-methylcyclohexyl)piperazine
CID 784111
2-(Piperidin-1-yl)-5-(trifluoromethyl)aniline
CID 694756
N~1~-(Propan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 735814
N-(3-methylcyclohexyl)aniline
CID 4711890

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine (CID 115506720) is 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine is CC1CCCC(N(C)c2cc(F)cc(F)c2N)C1.
What is the InChIKey of 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
The InChIKey is IQLQEYUGBMNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9-4-3-5-11(6-9)18(2)13-8-10(15)7-12(16)14(13)17/h7-9,11H,3-6,17H2,1-2H3.
What are the key properties of 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine?
3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 115506720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).