2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine

C18H27NO — CID 114523496

IUPAC2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C18H27NO/c1-2-4-13-7-10-18(19)17(11-13)14-5-3-6-16(12-14)20-15-8-9-15/h3,5-6,12-13,15,17-18H,2,4,7-11,19H2,1H3
InChIKeyBDWSRUYEKQKCAJ-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.24
Rot. Bonds5

About 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine

2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine (PubChem CID 114523496) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
PubChem CID114523496
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(c2cccc(OC3CC3)c2)C1
InChIInChI=1S/C18H27NO/c1-2-4-13-7-10-18(19)17(11-13)14-5-3-6-16(12-14)20-15-8-9-15/h3,5-6,12-13,15,17-18H,2,4,7-11,19H2,1H3
InChIKeyBDWSRUYEKQKCAJ-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine (CID 114523496) is 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(c2cccc(OC3CC3)c2)C1.
What is the InChIKey of 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine?
The InChIKey is BDWSRUYEKQKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-4-13-7-10-18(19)17(11-13)14-5-3-6-16(12-14)20-15-8-9-15/h3,5-6,12-13,15,17-18H,2,4,7-11,19H2,1H3.
What are the key properties of 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine?
2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyloxyphenyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 114523496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).