1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C18H28ClNO — CID 63407771

IUPAC1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H28ClNO/c1-5-17(2,3)13-8-10-18(20,11-9-13)15-12-14(19)6-7-16(15)21-4/h6-7,12-13H,5,8-11,20H2,1-4H3
InChIKeyVRWCVASMCXSQCA-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.13
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine

1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 63407771) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID63407771
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESCCC(C)(C)C1CCC(N)(c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C18H28ClNO/c1-5-17(2,3)13-8-10-18(20,11-9-13)15-12-14(19)6-7-16(15)21-4/h6-7,12-13H,5,8-11,20H2,1-4H3
InChIKeyVRWCVASMCXSQCA-UHFFFAOYSA-N
XLogP5.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407807
1-(5-chloro-2-methoxyphenyl)-4-propylcyclohexan-1-amine
CID 63407297
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587
1-(2,5-dimethylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407853
2-(5-chloro-2-methoxyphenyl)spiro[3.4]octan-2-amine
CID 65002776
1-(5-chloro-2-methoxyphenyl)-3-phenylcyclobutan-1-amine
CID 65014865
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylcyclopropan-1-amine
CID 83692070
4-(2-methylbutan-2-yl)-1-(4-methyl-3-pyridinyl)cyclohexan-1-amine
CID 66271811
1-(3-methoxypyrazin-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 104514762
2-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-dioxolane
CID 82128354
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756751
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethylcyclohexan-1-amine
CID 82768870

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 63407771) is 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is CCC(C)(C)C1CCC(N)(c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is VRWCVASMCXSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-5-17(2,3)13-8-10-18(20,11-9-13)15-12-14(19)6-7-16(15)21-4/h6-7,12-13H,5,8-11,20H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63407771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).