1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine

C18H29NO2 — CID 64730838

IUPAC1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCOC2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H29NO2/c1-14-9-15(2)11-18(10-14)21-8-7-20-17-6-4-5-16(12-17)13-19-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3
InChIKeyPYUZLXZDPNOTHI-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.63
Rot. Bonds7

About 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine

1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine (PubChem CID 64730838) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
PubChem CID64730838
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(OCCOC2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H29NO2/c1-14-9-15(2)11-18(10-14)21-8-7-20-17-6-4-5-16(12-17)13-19-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3
InChIKeyPYUZLXZDPNOTHI-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.63
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

3-methyl-N-[(3-propoxyphenyl)methyl]cyclobutan-1-amine
CID 115671617
1-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459750
1-[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62430706
6-[3-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702363
difluoromethane;1-[3-(fluoromethoxy)phenyl]-N-methylmethanamine;molecular hydrogen
CID 145483741
3-[3-(methylaminomethyl)phenoxy]propan-1-ol
CID 57355503
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
N-methyl-1-[4-[2-(4-methylcyclohexyl)oxyethoxy]phenyl]methanamine
CID 62445094
N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
1-[3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103406632
1-[3-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]phenyl]-N-methylmethanamine
CID 103181050
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine (CID 64730838) is 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine is CNCc1cccc(OCCOC2CC(C)CC(C)C2)c1.
What is the InChIKey of 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine?
The InChIKey is PYUZLXZDPNOTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-9-15(2)11-18(10-14)21-8-7-20-17-6-4-5-16(12-17)13-19-3/h4-6,12,14-15,18-19H,7-11,13H2,1-3H3.
What are the key properties of 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine?
1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine has a molecular weight of 291.43 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3,5-dimethylcyclohexyl)oxyethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 64730838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).