[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine

C17H25NO — CID 43428907

IUPAC[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine
SMILESNCC1CCC(c2ccccc2)CC1OCC1CC1
InChIInChI=1S/C17H25NO/c18-11-16-9-8-15(14-4-2-1-3-5-14)10-17(16)19-12-13-6-7-13/h1-5,13,15-17H,6-12,18H2
InChIKeyXUNAFZAACUZXIS-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.32
Rot. Bonds5

About [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine

[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine (PubChem CID 43428907) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine
PubChem CID43428907
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine
SMILESNCC1CCC(c2ccccc2)CC1OCC1CC1
InChIInChI=1S/C17H25NO/c18-11-16-9-8-15(14-4-2-1-3-5-14)10-17(16)19-12-13-6-7-13/h1-5,13,15-17H,6-12,18H2
InChIKeyXUNAFZAACUZXIS-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine?
The IUPAC name of [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine (CID 43428907) is [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine.
What is the SMILES notation for [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine?
The canonical SMILES for [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine is NCC1CCC(c2ccccc2)CC1OCC1CC1.
What is the InChIKey of [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine?
The InChIKey is XUNAFZAACUZXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-11-16-9-8-15(14-4-2-1-3-5-14)10-17(16)19-12-13-6-7-13/h1-5,13,15-17H,6-12,18H2.
What are the key properties of [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine?
[2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine has a molecular weight of 259.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxy)-4-phenylcyclohexyl]methanamine is sourced from PubChem (CID 43428907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).