1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine

C17H27NO2 — CID 104659074

IUPAC1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
SMILESCOCCOc1ccccc1C1(N)CCC(C)CC1C
InChIInChI=1S/C17H27NO2/c1-13-8-9-17(18,14(2)12-13)15-6-4-5-7-16(15)20-11-10-19-3/h4-7,13-14H,8-12,18H2,1-3H3
InChIKeyVJHGVWCOAFVJFW-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds5

About 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine

1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 104659074) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID104659074
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
SMILESCOCCOc1ccccc1C1(N)CCC(C)CC1C
InChIInChI=1S/C17H27NO2/c1-13-8-9-17(18,14(2)12-13)15-6-4-5-7-16(15)20-11-10-19-3/h4-7,13-14H,8-12,18H2,1-3H3
InChIKeyVJHGVWCOAFVJFW-UHFFFAOYSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1-(2-propoxyphenyl)cyclohexan-1-amine
CID 104659071
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
2,4-dimethyl-1-phenylcyclohexan-1-amine
CID 64776190
1-(2-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79680080
1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
CID 104659061
3-[2-(2-methoxyethoxy)phenyl]-2-methylthiolan-3-ol
CID 114080240
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
4-ethyl-1-[2-(2-methoxyethoxy)phenyl]cycloheptan-1-ol
CID 104658769
3-[2-(2-methoxyethoxy)phenyl]-5-methylthiolan-3-ol
CID 113438152
bis[2-(2-methoxyethoxy)phenyl]iodanium
CID 139829734

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine (CID 104659074) is 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine is COCCOc1ccccc1C1(N)CCC(C)CC1C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is VJHGVWCOAFVJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-8-9-17(18,14(2)12-13)15-6-4-5-7-16(15)20-11-10-19-3/h4-7,13-14H,8-12,18H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine?
1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104659074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).