3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

C16H25FN2 — CID 79631539

IUPAC3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-18-15-5-4-6-16(11-15)19(2)12-13-7-9-14(17)10-8-13/h7-10,15-16,18H,3-6,11-12H2,1-2H3
InChIKeyKMIWIOGRRKBSPK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.18
Rot. Bonds5

About 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine

3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (PubChem CID 79631539) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
PubChem CID79631539
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
SMILESCCNC1CCCC(N(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-18-15-5-4-6-16(11-15)19(2)12-13-7-9-14(17)10-8-13/h7-10,15-16,18H,3-6,11-12H2,1-2H3
InChIKeyKMIWIOGRRKBSPK-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-[(2-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79631248
3-N-ethyl-1-N-methyl-1-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 79618941
1-N-[(4-ethylphenyl)methyl]-1-N-methylcyclohexane-1,3-diamine
CID 79468037
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
N-ethyl-2-(4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 63415167
N-[(4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65081377
3-[(4-fluorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 117042951
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
3-N-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1,3-diamine
CID 79617842
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
N-ethyl-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866407

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine (CID 79631539) is 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is CCNC1CCCC(N(C)Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
The InChIKey is KMIWIOGRRKBSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-18-15-5-4-6-16(11-15)19(2)12-13-7-9-14(17)10-8-13/h7-10,15-16,18H,3-6,11-12H2,1-2H3.
What are the key properties of 3-N-ethyl-1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine?
3-N-ethyl-1-N-[(4-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-[(4-fluorophenyl)methyl]-1-N-methylcyclohexane-1,3-diamine is sourced from PubChem (CID 79631539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).