2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

C18H29NO — CID 64766100

IUPAC2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cccc(OC)c1
InChIInChI=1S/C18H29NO/c1-13-9-10-16(17(11-13)19-4)18(2,3)14-7-6-8-15(12-14)20-5/h6-8,12-13,16-17,19H,9-11H2,1-5H3
InChIKeyYIJVSXZKOLAYNB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.00
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine

2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (PubChem CID 64766100) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
PubChem CID64766100
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
SMILESCNC1CC(C)CCC1C(C)(C)c1cccc(OC)c1
InChIInChI=1S/C18H29NO/c1-13-9-10-16(17(11-13)19-4)18(2,3)14-7-6-8-15(12-14)20-5/h6-8,12-13,16-17,19H,9-11H2,1-5H3
InChIKeyYIJVSXZKOLAYNB-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine (CID 64766100) is 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is CNC1CC(C)CCC1C(C)(C)c1cccc(OC)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
The InChIKey is YIJVSXZKOLAYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-9-10-16(17(11-13)19-4)18(2,3)14-7-6-8-15(12-14)20-5/h6-8,12-13,16-17,19H,9-11H2,1-5H3.
What are the key properties of 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine?
2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64766100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).