[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine

C18H29NO2 — CID 81011540

IUPAC[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
SMILESCCOc1ccc(C2CCCCCC2CN)cc1OCC
InChIInChI=1S/C18H29NO2/c1-3-20-17-11-10-14(12-18(17)21-4-2)16-9-7-5-6-8-15(16)13-19/h10-12,15-16H,3-9,13,19H2,1-2H3
InChIKeyKGPLVGVWALKHKP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.11
Rot. Bonds6

About [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine

[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine (PubChem CID 81011540) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
PubChem CID81011540
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine
SMILESCCOc1ccc(C2CCCCCC2CN)cc1OCC
InChIInChI=1S/C18H29NO2/c1-3-20-17-11-10-14(12-18(17)21-4-2)16-9-7-5-6-8-15(16)13-19/h10-12,15-16H,3-9,13,19H2,1-2H3
InChIKeyKGPLVGVWALKHKP-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-diethoxyphenyl)cyclohexyl]-N-methylmethanamine
CID 81028647
2-(3,4-diethoxyphenyl)cyclopentan-1-amine
CID 62802273
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
3-(3,4-diethoxyphenyl)-2-methylcyclopentan-1-amine
CID 64908099
2-(3,4-diethoxyphenyl)-N-ethylcyclopentan-1-amine
CID 62802621
[2-(3-chloro-4-methylphenyl)cycloheptyl]methanamine
CID 107561112
[2-(4-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114520460
[2-(3-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114523516
(3S,4R)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-4-amine;dihydrochloride
CID 70021699
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
2-(3,4-diethoxyphenyl)piperidine
CID 4544824

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine?
The IUPAC name of [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine (CID 81011540) is [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine is CCOc1ccc(C2CCCCCC2CN)cc1OCC.
What is the InChIKey of [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine?
The InChIKey is KGPLVGVWALKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-20-17-11-10-14(12-18(17)21-4-2)16-9-7-5-6-8-15(16)13-19/h10-12,15-16H,3-9,13,19H2,1-2H3.
What are the key properties of [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine?
[2-(3,4-diethoxyphenyl)cycloheptyl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-diethoxyphenyl)cycloheptyl]methanamine is sourced from PubChem (CID 81011540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).