[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine

C18H29NO2 — CID 104663423

IUPAC[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCOCCOc1ccccc1C1CC(C)(C)CCC1CN
InChIInChI=1S/C18H29NO2/c1-18(2)9-8-14(13-19)16(12-18)15-6-4-5-7-17(15)21-11-10-20-3/h4-7,14,16H,8-13,19H2,1-3H3
InChIKeyKDJFZSCPALLQQG-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.58
Rot. Bonds6

About [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine

[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine (PubChem CID 104663423) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
PubChem CID104663423
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine
SMILESCOCCOc1ccccc1C1CC(C)(C)CCC1CN
InChIInChI=1S/C18H29NO2/c1-18(2)9-8-14(13-19)16(12-18)15-6-4-5-7-17(15)21-11-10-20-3/h4-7,14,16H,8-13,19H2,1-3H3
InChIKeyKDJFZSCPALLQQG-UHFFFAOYSA-N
XLogP3.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.58
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-[2-(2-methoxyethoxy)phenyl]cyclohexan-1-ol
CID 104662423
2-[2-(2-methoxyethoxy)phenyl]-N-methylcycloheptan-1-amine
CID 104662480
1-(3-bromo-2-methylcyclopentyl)-2-(2-methoxyethoxy)benzene
CID 104662885
(4,4-dimethylcyclohexyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659592
[(1S,2S)-2-(2-pentoxyphenyl)cyclopropyl]methanamine;hydrochloride
CID 70681343
[2-(5-bromo-2-fluorophenyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011493
[2-(3-methoxypropyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012391
[(1S,2S)-2-(2-ethoxyphenyl)cyclopropyl]methanamine
CID 70683433
N-[[2-[2-(2-methoxyethoxy)phenyl]cyclopentyl]methyl]propan-1-amine
CID 104663479
4-[2-(2-methoxyethoxy)phenyl]piperidine;hydrochloride
CID 163359265
[4,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 81012156
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine (CID 104663423) is [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine is COCCOc1ccccc1C1CC(C)(C)CCC1CN.
What is the InChIKey of [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is KDJFZSCPALLQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2)9-8-14(13-19)16(12-18)15-6-4-5-7-17(15)21-11-10-20-3/h4-7,14,16H,8-13,19H2,1-3H3.
What are the key properties of [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine?
[2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 104663423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).