4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline

C18H28ClNO — CID 107621247

IUPAC4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
SMILESCCC(C)(C)C1CCC(Nc2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C18H28ClNO/c1-5-18(2,3)13-6-8-14(9-7-13)20-15-10-11-16(19)17(12-15)21-4/h10-14,20H,5-9H2,1-4H3
InChIKeyJAYSLNXULFLRAQ-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.76
Rot. Bonds5

About 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline

4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline (PubChem CID 107621247) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
PubChem CID107621247
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
SMILESCCC(C)(C)C1CCC(Nc2ccc(Cl)c(OC)c2)CC1
InChIInChI=1S/C18H28ClNO/c1-5-18(2,3)13-6-8-14(9-7-13)20-15-10-11-16(19)17(12-15)21-4/h10-14,20H,5-9H2,1-4H3
InChIKeyJAYSLNXULFLRAQ-UHFFFAOYSA-N
XLogP5.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63418757
3-chloro-4-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422035
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
4-chloro-N-(2-cyclopropylethyl)-3-methoxyaniline
CID 107266013
2-fluoro-5-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]benzonitrile
CID 63476589
N-(4-chloro-3-methoxyphenyl)piperidin-3-amine
CID 107621326
N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-propan-2-ylaniline
CID 63421494
4-bromo-2-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63423181
3-chloro-2-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422219
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-(3,4-dimethoxyanilino)cyclohexan-1-ol
CID 82539356
[2-chloro-5-(cyclopropylamino)phenyl]-methoxymethanol
CID 143253898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
The IUPAC name of 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline (CID 107621247) is 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline is CCC(C)(C)C1CCC(Nc2ccc(Cl)c(OC)c2)CC1.
What is the InChIKey of 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
The InChIKey is JAYSLNXULFLRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-5-18(2,3)13-6-8-14(9-7-13)20-15-10-11-16(19)17(12-15)21-4/h10-14,20H,5-9H2,1-4H3.
What are the key properties of 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline?
4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline has a molecular weight of 309.88 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline is sourced from PubChem (CID 107621247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).