1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine

C17H26ClNO — CID 117476823

IUPAC1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1c(C(C)C)cc(Cl)c(C)c1C1(N)CCCCC1
InChIInChI=1S/C17H26ClNO/c1-11(2)13-10-14(18)12(3)15(16(13)20-4)17(19)8-6-5-7-9-17/h10-11H,5-9,19H2,1-4H3
InChIKeyRXSKOGXCSIBOOW-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.90
Rot. Bonds3

About 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine

1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine (PubChem CID 117476823) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
PubChem CID117476823
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine
SMILESCOc1c(C(C)C)cc(Cl)c(C)c1C1(N)CCCCC1
InChIInChI=1S/C17H26ClNO/c1-11(2)13-10-14(18)12(3)15(16(13)20-4)17(19)8-6-5-7-9-17/h10-11H,5-9,19H2,1-4H3
InChIKeyRXSKOGXCSIBOOW-UHFFFAOYSA-N
XLogP4.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
2-(1-aminocyclobutyl)-4-chloro-3-methyl-6-propan-2-ylphenol
CID 117387590
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(4-methoxy-3-methyl-5-propan-2-ylphenyl)cyclohexan-1-amine
CID 117408749
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
O-[(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)methyl]hydroxylamine
CID 117361513

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine (CID 117476823) is 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine is COc1c(C(C)C)cc(Cl)c(C)c1C1(N)CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine?
The InChIKey is RXSKOGXCSIBOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-11(2)13-10-14(18)12(3)15(16(13)20-4)17(19)8-6-5-7-9-17/h10-11H,5-9,19H2,1-4H3.
What are the key properties of 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine?
1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117476823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).