N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine

C18H29NO2 — CID 107664408

IUPACN-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine
SMILESCCNC1CCCCCC1Oc1ccc(CC)cc1OC
InChIInChI=1S/C18H29NO2/c1-4-14-11-12-17(18(13-14)20-3)21-16-10-8-6-7-9-15(16)19-5-2/h11-13,15-16,19H,4-10H2,1-3H3
InChIKeyDASSTYQDERASIW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.95
Rot. Bonds6

About N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine

N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine (PubChem CID 107664408) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine
PubChem CID107664408
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine
SMILESCCNC1CCCCCC1Oc1ccc(CC)cc1OC
InChIInChI=1S/C18H29NO2/c1-4-14-11-12-17(18(13-14)20-3)21-16-10-8-6-7-9-15(16)19-5-2/h11-13,15-16,19H,4-10H2,1-3H3
InChIKeyDASSTYQDERASIW-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)cyclohexan-1-amine
CID 107664389
N-ethyl-2-(3-ethylphenoxy)cycloheptan-1-amine
CID 63474204
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
2-(4-ethyl-2-methoxyphenoxy)-4-methylcyclohexan-1-ol
CID 107667809
N-ethyl-2-(5-fluoro-2-methoxyphenyl)cycloheptan-1-amine
CID 82783172
3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 107669459
3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
CID 107664429
3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
CID 107669388
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
2-(3-bromo-2,4-dimethoxyphenyl)-N-ethylcycloheptan-1-amine
CID 103523809

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine (CID 107664408) is N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine is CCNC1CCCCCC1Oc1ccc(CC)cc1OC.
What is the InChIKey of N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine?
The InChIKey is DASSTYQDERASIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-14-11-12-17(18(13-14)20-3)21-16-10-8-6-7-9-15(16)19-5-2/h11-13,15-16,19H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine?
N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-ethyl-2-methoxyphenoxy)cycloheptan-1-amine is sourced from PubChem (CID 107664408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).