(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine

C17H27NO — CID 65415745

IUPAC(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCOc1ccc(C(N)C2CCCC(CC)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-13-6-5-7-15(12-13)17(18)14-8-10-16(11-9-14)19-4-2/h8-11,13,15,17H,3-7,12,18H2,1-2H3
InChIKeyPTEQGVUAUBTYER-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.30
Rot. Bonds5

About (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine

(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine (PubChem CID 65415745) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
PubChem CID65415745
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
SMILESCCOc1ccc(C(N)C2CCCC(CC)C2)cc1
InChIInChI=1S/C17H27NO/c1-3-13-6-5-7-15(12-13)17(18)14-8-10-16(11-9-14)19-4-2/h8-11,13,15,17H,3-7,12,18H2,1-2H3
InChIKeyPTEQGVUAUBTYER-UHFFFAOYSA-N
XLogP4.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[amino-(4-ethoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116937243
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
(4-ethoxyphenyl)-(4-propylcyclohexyl)methanamine
CID 65422984
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(3-ethylcyclopentyl)-(4-fluorophenyl)methanamine
CID 65410226
(4-ethylcyclohexyl)-(4-propoxyphenyl)methanamine
CID 65393938
(3-ethylcyclohexyl)-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81144345
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(2,4-dimethylphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415138
(3-ethylcyclohexyl)-(2-methylquinolin-6-yl)methanamine
CID 81228911
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine (CID 65415745) is (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine is CCOc1ccc(C(N)C2CCCC(CC)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is PTEQGVUAUBTYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13-6-5-7-15(12-13)17(18)14-8-10-16(11-9-14)19-4-2/h8-11,13,15,17H,3-7,12,18H2,1-2H3.
What are the key properties of (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine?
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine is sourced from PubChem (CID 65415745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).