4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline

C16H24ClNO — CID 29287778

IUPAC4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
SMILESCCC1CCC(Nc2cc(C)c(Cl)cc2OC)CC1
InChIInChI=1S/C16H24ClNO/c1-4-12-5-7-13(8-6-12)18-15-9-11(2)14(17)10-16(15)19-3/h9-10,12-13,18H,4-8H2,1-3H3
InChIKeyYDMRBHCHZJBPOG-UHFFFAOYSA-N
MW281.83 g/mol
LogP5.04
Rot. Bonds4

About 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline

4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline (PubChem CID 29287778) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
PubChem CID29287778
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline
SMILESCCC1CCC(Nc2cc(C)c(Cl)cc2OC)CC1
InChIInChI=1S/C16H24ClNO/c1-4-12-5-7-13(8-6-12)18-15-9-11(2)14(17)10-16(15)19-3/h9-10,12-13,18H,4-8H2,1-3H3
InChIKeyYDMRBHCHZJBPOG-UHFFFAOYSA-N
XLogP5.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.83
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-cyclopentyl-2-methoxy-5-methylaniline
CID 30050493
2-chloro-N-(4-ethylcyclohexyl)-4-methylaniline
CID 28967824
N-(4-chloro-2-methoxy-5-methylphenyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 106657991
4-chloro-N-(2,6-dimethylcyclohexyl)-2-methoxy-5-methylaniline
CID 43106401
N-(5-bromo-2-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 65083314
3-bromo-5-chloro-N-(4-ethylcyclohexyl)-2-methoxyaniline
CID 43689269
4-chloro-2-methoxy-5-methyl-N-(3-phenylcyclobutyl)aniline
CID 43632094
2,5-dichloro-N-cyclopropyl-4-methylaniline
CID 103439355
4-(4-chloro-2-methoxy-5-methylanilino)azepan-2-one
CID 63903695
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955528
6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine
CID 43685795
4-chloro-N-(3-ethoxycyclobutyl)-2,5-dimethoxyaniline
CID 112573941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline (CID 29287778) is 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline is CCC1CCC(Nc2cc(C)c(Cl)cc2OC)CC1.
What is the InChIKey of 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline?
The InChIKey is YDMRBHCHZJBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-12-5-7-13(8-6-12)18-15-9-11(2)14(17)10-16(15)19-3/h9-10,12-13,18H,4-8H2,1-3H3.
What are the key properties of 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline?
4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline has a molecular weight of 281.83 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylcyclohexyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 29287778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).