3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

C16H25FN2 — CID 79631248

IUPAC3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(C)Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2/c1-3-18-14-8-6-9-15(11-14)19(2)12-13-7-4-5-10-16(13)17/h4-5,7,10,14-15,18H,3,6,8-9,11-12H2,1-2H3
InChIKeyWTNYZVJDFNMCGV-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.18
Rot. Bonds5

About 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79631248) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
PubChem CID79631248
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(C)Cc2ccccc2F)C1
InChIInChI=1S/C16H25FN2/c1-3-18-14-8-6-9-15(11-14)19(2)12-13-7-4-5-10-16(13)17/h4-5,7,10,14-15,18H,3,6,8-9,11-12H2,1-2H3
InChIKeyWTNYZVJDFNMCGV-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79631539
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cyclopentan-1-amine
CID 62611217
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
N-ethyl-2-[[(2-fluorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62608952
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
1-N,3-N-dimethyl-3-N-[(2-methylphenyl)methyl]cyclopentane-1,3-diamine
CID 79643894
2-[[cyclohexyl(methyl)amino]methyl]-6-fluorophenol
CID 112616052
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
3-(2,6-difluorophenyl)-N-ethylcyclopentan-1-amine
CID 64504263
5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767571

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (CID 79631248) is 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is CCNC1CCCC(N(C)Cc2ccccc2F)C1.
What is the InChIKey of 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is WTNYZVJDFNMCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-18-14-8-6-9-15(11-14)19(2)12-13-7-4-5-10-16(13)17/h4-5,7,10,14-15,18H,3,6,8-9,11-12H2,1-2H3.
What are the key properties of 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79631248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).