4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline

C16H24ClNO — CID 43106401

IUPAC4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC1C(C)CCCC1C
InChIInChI=1S/C16H24ClNO/c1-10-6-5-7-11(2)16(10)18-14-8-12(3)13(17)9-15(14)19-4/h8-11,16,18H,5-7H2,1-4H3
InChIKeyFOEXBYIFCGNSGG-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.89
Rot. Bonds3

About 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline

4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline (PubChem CID 43106401) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
PubChem CID43106401
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NC1C(C)CCCC1C
InChIInChI=1S/C16H24ClNO/c1-10-6-5-7-11(2)16(10)18-14-8-12(3)13(17)9-15(14)19-4/h8-11,16,18H,5-7H2,1-4H3
InChIKeyFOEXBYIFCGNSGG-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
CID 43712363
4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
4-chloro-2,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43109970
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
CID 29287778
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzoic acid
CID 63743628
2,5-dichloro-N-(2,6-dimethylcyclohexyl)aniline
CID 43097322
4-(4-chloro-2-methoxy-5-methylanilino)azepan-2-one
CID 63903695
N-(4-chloro-2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43102702
4-chloro-N-(1-cyclopropylethyl)-2-methoxy-5-methylaniline
CID 43191804
2-chloro-4,5-dimethoxy-N-(2-methylcyclohexyl)aniline
CID 43712361
3-[(2,6-dimethylcyclohexyl)amino]-4-methoxybenzenesulfonamide
CID 43743918
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 17404105

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline (CID 43106401) is 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline is COc1cc(Cl)c(C)cc1NC1C(C)CCCC1C.
What is the InChIKey of 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline?
The InChIKey is FOEXBYIFCGNSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-10-6-5-7-11(2)16(10)18-14-8-12(3)13(17)9-15(14)19-4/h8-11,16,18H,5-7H2,1-4H3.
What are the key properties of 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline?
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline has a molecular weight of 281.83 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 43106401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).