2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine

C16H25NO2 — CID 81014177

IUPAC2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C16H25NO2/c1-4-11-5-6-16(17)15(7-11)12-8-13(18-2)10-14(9-12)19-3/h8-11,15-16H,4-7,17H2,1-3H3
InChIKeyCCBLBSBKVYGDAM-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.32
Rot. Bonds4

About 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine

2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine (PubChem CID 81014177) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine
PubChem CID81014177
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cc(OC)cc(OC)c2)C1
InChIInChI=1S/C16H25NO2/c1-4-11-5-6-16(17)15(7-11)12-8-13(18-2)10-14(9-12)19-3/h8-11,15-16H,4-7,17H2,1-3H3
InChIKeyCCBLBSBKVYGDAM-UHFFFAOYSA-N
XLogP3.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine (CID 81014177) is 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(c2cc(OC)cc(OC)c2)C1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine?
The InChIKey is CCBLBSBKVYGDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-11-5-6-16(17)15(7-11)12-8-13(18-2)10-14(9-12)19-3/h8-11,15-16H,4-7,17H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine?
2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 81014177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).