1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine

C18H29NO — CID 116769301

IUPAC1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-17(2)10-12-18(20-4,13-11-17)16(19-3)14-15-8-6-5-7-9-15/h5-9,16,19H,10-14H2,1-4H3
InChIKeyWGEUDUGJMLZHQJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.80
Rot. Bonds5

About 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine

1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine (PubChem CID 116769301) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
PubChem CID116769301
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1(OC)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-17(2)10-12-18(20-4,13-11-17)16(19-3)14-15-8-6-5-7-9-15/h5-9,16,19H,10-14H2,1-4H3
InChIKeyWGEUDUGJMLZHQJ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 116769287
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-pyridin-2-ylethanamine
CID 116769249
2-(5-bromothiophen-2-yl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769276
2-(4-iodophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714268
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
[2-(3-chlorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 105278104
2-(3-chloro-4-pyridinyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116769462
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
1-(1-methoxycyclohexyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 116762893
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
2-(3-bromophenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770088

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine (CID 116769301) is 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)C1(OC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine?
The InChIKey is WGEUDUGJMLZHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2)10-12-18(20-4,13-11-17)16(19-3)14-15-8-6-5-7-9-15/h5-9,16,19H,10-14H2,1-4H3.
What are the key properties of 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine?
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 116769301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).