2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine

C17H27NO — CID 105022380

IUPAC2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(N)CC2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-19-16-11-7-10-15(13-16)17(18)12-14-8-5-3-4-6-9-14/h7,10-11,13-14,17H,2-6,8-9,12,18H2,1H3
InChIKeyNZCNMBNKCJCCOT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.45
Rot. Bonds5

About 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine

2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine (PubChem CID 105022380) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
PubChem CID105022380
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
SMILESCCOc1cccc(C(N)CC2CCCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-19-16-11-7-10-15(13-16)17(18)12-14-8-5-3-4-6-9-14/h7,10-11,13-14,17H,2-6,8-9,12,18H2,1H3
InChIKeyNZCNMBNKCJCCOT-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-2-(oxolan-3-yl)ethanamine
CID 103986722
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
CID 116771298
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-cycloheptyl-1-(3-propylphenyl)ethanamine
CID 105050523
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(1R)-2-cyclopropyl-1-(3-phenylmethoxyphenyl)ethanamine
CID 171211270
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine (CID 105022380) is 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine is CCOc1cccc(C(N)CC2CCCCCC2)c1.
What is the InChIKey of 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine?
The InChIKey is NZCNMBNKCJCCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-19-16-11-7-10-15(13-16)17(18)12-14-8-5-3-4-6-9-14/h7,10-11,13-14,17H,2-6,8-9,12,18H2,1H3.
What are the key properties of 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine?
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine is sourced from PubChem (CID 105022380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).