2-(4-ethoxyphenyl)cyclohexan-1-amine

C14H21NO — CID 62800786

IUPAC2-(4-ethoxyphenyl)cyclohexan-1-amine
SMILESCCOc1ccc(C2CCCCC2N)cc1
InChIInChI=1S/C14H21NO/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h7-10,13-14H,2-6,15H2,1H3
InChIKeyBBMHWCNYMXLQRC-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-ethoxyphenyl)cyclohexan-1-amine

2-(4-ethoxyphenyl)cyclohexan-1-amine (PubChem CID 62800786) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)cyclohexan-1-amine
PubChem CID62800786
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(4-ethoxyphenyl)cyclohexan-1-amine
SMILESCCOc1ccc(C2CCCCC2N)cc1
InChIInChI=1S/C14H21NO/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h7-10,13-14H,2-6,15H2,1H3
InChIKeyBBMHWCNYMXLQRC-UHFFFAOYSA-N
XLogP3.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 2-(4-ethoxyphenyl)cyclohexan-1-amine (CID 62800786) is 2-(4-ethoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(4-ethoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 2-(4-ethoxyphenyl)cyclohexan-1-amine is CCOc1ccc(C2CCCCC2N)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)cyclohexan-1-amine?
The InChIKey is BBMHWCNYMXLQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-16-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15/h7-10,13-14H,2-6,15H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)cyclohexan-1-amine?
2-(4-ethoxyphenyl)cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 62800786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).