1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine

C17H27NO2 — CID 104659061

IUPAC1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCCOc1ccccc1C1(N)CCCC(C)(C)C1
InChIInChI=1S/C17H27NO2/c1-16(2)9-6-10-17(18,13-16)14-7-4-5-8-15(14)20-12-11-19-3/h4-5,7-8H,6,9-13,18H2,1-3H3
InChIKeyNQDIXUPHAKFKIB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.47
Rot. Bonds5

About 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine

1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 104659061) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID104659061
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCCOc1ccccc1C1(N)CCCC(C)(C)C1
InChIInChI=1S/C17H27NO2/c1-16(2)9-6-10-17(18,13-16)14-7-4-5-8-15(14)20-12-11-19-3/h4-5,7-8H,6,9-13,18H2,1-3H3
InChIKeyNQDIXUPHAKFKIB-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
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

1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085
1-(2-butoxyphenyl)cyclopropan-1-amine
CID 176600584
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 80706187
1-[2-(2-methoxyethoxy)phenyl]-2,4-dimethylcyclohexan-1-amine
CID 104659074
1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
CID 141324202
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069
1-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-amine
CID 117316587
5-(2-methoxyphenyl)spiro[2.3]hexan-5-amine
CID 65008758
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
CID 104660354
2-methoxy-1-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 106873761
1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]cyclohexan-1-amine
CID 117440916

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine (CID 104659061) is 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine is COCCOc1ccccc1C1(N)CCCC(C)(C)C1.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is NQDIXUPHAKFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2)9-6-10-17(18,13-16)14-7-4-5-8-15(14)20-12-11-19-3/h4-5,7-8H,6,9-13,18H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine?
1-[2-(2-methoxyethoxy)phenyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.47, 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]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104659061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).