N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine

C17H26ClNO — CID 114319168

IUPACN-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C17H26ClNO/c1-4-19-11-15-16(18)6-5-7-17(15)20-14-9-8-12(2)13(3)10-14/h5-7,12-14,19H,4,8-11H2,1-3H3
InChIKeyOWKIVBALUUKATN-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.65
Rot. Bonds5

About N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine

N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine (PubChem CID 114319168) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
PubChem CID114319168
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C17H26ClNO/c1-4-19-11-15-16(18)6-5-7-17(15)20-14-9-8-12(2)13(3)10-14/h5-7,12-14,19H,4,8-11H2,1-3H3
InChIKeyOWKIVBALUUKATN-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 113276658
2-chloro-6-(3,4-dimethylcyclohexyl)oxyaniline
CID 104835060
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
CID 114319831
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
N-[[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739556
2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 64744981
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine (CID 114319168) is N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1OC1CCC(C)C(C)C1.
What is the InChIKey of N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
The InChIKey is OWKIVBALUUKATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-19-11-15-16(18)6-5-7-17(15)20-14-9-8-12(2)13(3)10-14/h5-7,12-14,19H,4,8-11H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine?
N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine has a molecular weight of 295.85 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 114319168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).