N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine

C16H25FN2 — CID 62554580

IUPACN'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-13-4-3-5-15(12-13)18-10-11-19(2)16-8-6-14(17)7-9-16/h6-9,13,15,18H,3-5,10-12H2,1-2H3
InChIKeyAPUQONITNFLBKX-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.43
Rot. Bonds5

About N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine

N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 62554580) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
PubChem CID62554580
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCC(NCCN(C)c2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-13-4-3-5-15(12-13)18-10-11-19(2)16-8-6-14(17)7-9-16/h6-9,13,15,18H,3-5,10-12H2,1-2H3
InChIKeyAPUQONITNFLBKX-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopentyl-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62576013
4-fluoro-N-(3-methylcyclohexyl)aniline
CID 43097581
N'-methyl-N-(3-methylcyclohexyl)-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62560432
N'-[(4-bromophenyl)methyl]-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 63502762
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
N'-methyl-N-(3-methylcyclohexyl)-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62556838
N,N,N'-trimethyl-N'-[2-[(3-methylcyclohexyl)amino]ethyl]propane-1,3-diamine
CID 63726355
N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 62575307
N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62554245
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132
N-[2-(4-fluorophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65080834

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine (CID 62554580) is N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine is CC1CCCC(NCCN(C)c2ccc(F)cc2)C1.
What is the InChIKey of N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is APUQONITNFLBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-4-3-5-15(12-13)18-10-11-19(2)16-8-6-14(17)7-9-16/h6-9,13,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine?
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 62554580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).