3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine

C18H27NO — CID 114520158

IUPAC3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C18H27NO/c1-2-19-16-6-4-3-5-15(13-16)14-7-9-17(10-8-14)20-18-11-12-18/h7-10,15-16,18-19H,2-6,11-13H2,1H3
InChIKeyZWIMIMLDIIZFIC-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.25
Rot. Bonds5

About 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine

3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine (PubChem CID 114520158) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine
PubChem CID114520158
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine
SMILESCCNC1CCCCC(c2ccc(OC3CC3)cc2)C1
InChIInChI=1S/C18H27NO/c1-2-19-16-6-4-3-5-15(13-16)14-7-9-17(10-8-14)20-18-11-12-18/h7-10,15-16,18-19H,2-6,11-13H2,1H3
InChIKeyZWIMIMLDIIZFIC-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-ethylcycloheptan-1-amine
CID 107560967
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
CID 104544363
N-ethyl-3-(5-methylthiophen-3-yl)cyclohexan-1-amine
CID 65105057
3-(3-ethoxyphenoxy)-N-ethylcyclopentan-1-amine
CID 79632753
1-(4-cyclopropyloxyphenyl)-4-(ethylamino)cyclohexan-1-ol
CID 114520395
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
3-ethoxy-N-ethylcyclohexan-1-amine
CID 79619303
3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
CID 139827959

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine?
The IUPAC name of 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine (CID 114520158) is 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine.
What is the SMILES notation for 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine?
The canonical SMILES for 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine is CCNC1CCCCC(c2ccc(OC3CC3)cc2)C1.
What is the InChIKey of 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine?
The InChIKey is ZWIMIMLDIIZFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-19-16-6-4-3-5-15(13-16)14-7-9-17(10-8-14)20-18-11-12-18/h7-10,15-16,18-19H,2-6,11-13H2,1H3.
What are the key properties of 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine?
3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine is sourced from PubChem (CID 114520158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).