N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine

C16H25FN2 — CID 62554245

IUPACN-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-19(16-9-7-15(17)8-10-16)12-11-18-13-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11-13H2,1H3
InChIKeyPVJLLHCAZOCDMO-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.43
Rot. Bonds6

About N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine

N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 62554245) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID62554245
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNCC1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C16H25FN2/c1-19(16-9-7-15(17)8-10-16)12-11-18-13-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11-13H2,1H3
InChIKeyPVJLLHCAZOCDMO-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 55197401
N-(cyclopentylmethyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 62554220
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
N-(2-butoxyethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555568
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
N-(3,3-dimethylbutyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555230
4-fluoro-N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]aniline
CID 62437113
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554580
N-(cyclooctylmethyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 114207737
N'-(4-fluorophenyl)-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62555231
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine (CID 62554245) is N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CCNCC1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is PVJLLHCAZOCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-19(16-9-7-15(17)8-10-16)12-11-18-13-14-5-3-2-4-6-14/h7-10,14,18H,2-6,11-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62554245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).