1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine

C17H26ClFN2 — CID 63470631

IUPAC1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
SMILESCCC1CCC(N(C)C(CN)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H26ClFN2/c1-3-12-7-9-13(10-8-12)21(2)16(11-20)17-14(18)5-4-6-15(17)19/h4-6,12-13,16H,3,7-11,20H2,1-2H3
InChIKeyHHXXLTSAQYWXID-UHFFFAOYSA-N
MW312.86 g/mol
LogP4.38
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine

1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine (PubChem CID 63470631) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
PubChem CID63470631
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
SMILESCCC1CCC(N(C)C(CN)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C17H26ClFN2/c1-3-12-7-9-13(10-8-12)21(2)16(11-20)17-14(18)5-4-6-15(17)19/h4-6,12-13,16H,3,7-11,20H2,1-2H3
InChIKeyHHXXLTSAQYWXID-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
1-(2-chloro-6-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271044
1-(3-chloro-5-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 114453323
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431561
1-(2-chloro-6-fluorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylethane-1,2-diamine
CID 61414930
1-(2-chloro-6-fluorophenyl)-N-ethyl-N-phenylethane-1,2-diamine
CID 43080648
1-(2,6-dichlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63464689
4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79120793
3-chloro-2-N-(4-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63402926
N-cyclopropyl-1-(2,6-dichlorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002202
N-benzyl-1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 43126039
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine (CID 63470631) is 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine is CCC1CCC(N(C)C(CN)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine?
The InChIKey is HHXXLTSAQYWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2/c1-3-12-7-9-13(10-8-12)21(2)16(11-20)17-14(18)5-4-6-15(17)19/h4-6,12-13,16H,3,7-11,20H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine?
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine has a molecular weight of 312.86 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63470631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).