N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine

C18H29NO — CID 106681285

IUPACN-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine
SMILESCCNC1CCCCC(c2c(C)cc(C)cc2OC)C1
InChIInChI=1S/C18H29NO/c1-5-19-16-9-7-6-8-15(12-16)18-14(3)10-13(2)11-17(18)20-4/h10-11,15-16,19H,5-9,12H2,1-4H3
InChIKeyBBICXVKZNRLCOF-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.34
Rot. Bonds4

About N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine

N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine (PubChem CID 106681285) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine
PubChem CID106681285
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine
SMILESCCNC1CCCCC(c2c(C)cc(C)cc2OC)C1
InChIInChI=1S/C18H29NO/c1-5-19-16-9-7-6-8-15(12-16)18-14(3)10-13(2)11-17(18)20-4/h10-11,15-16,19H,5-9,12H2,1-4H3
InChIKeyBBICXVKZNRLCOF-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
CID 107560967
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclopentan-1-amine
CID 79643021
N-ethyl-3-(3-methoxypyrazin-2-yl)cycloheptan-1-amine
CID 104516414
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 106681605
3-(2-methoxy-4,6-dimethylphenyl)pyrrolidine
CID 82492093
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
CID 66359646
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
N-[[2-(2-methoxy-4,6-dimethylphenyl)cyclobutyl]methyl]propan-2-amine
CID 106681604
1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 104748853
3-(5-chloro-2-methoxyphenyl)-N-ethylcyclopentan-1-amine
CID 64506168

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine (CID 106681285) is N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine is CCNC1CCCCC(c2c(C)cc(C)cc2OC)C1.
What is the InChIKey of N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine?
The InChIKey is BBICXVKZNRLCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-16-9-7-6-8-15(12-16)18-14(3)10-13(2)11-17(18)20-4/h10-11,15-16,19H,5-9,12H2,1-4H3.
What are the key properties of N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine?
N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxy-4,6-dimethylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 106681285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).