N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride

C17H28ClNO — CID 17331532

IUPACN-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCCOc1ccc(CNC2CCCCCCC2)cc1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-2-19-17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16;/h10-13,16,18H,2-9,14H2,1H3;1H
InChIKeyIDQPUIWVUUBXNG-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.71
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride

N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride (PubChem CID 17331532) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
PubChem CID17331532
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
SMILESCCOc1ccc(CNC2CCCCCCC2)cc1.Cl
InChIInChI=1S/C17H27NO.ClH/c1-2-19-17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16;/h10-13,16,18H,2-9,14H2,1H3;1H
InChIKeyIDQPUIWVUUBXNG-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[(4-methoxyphenyl)methyl]cycloheptanamine
CID 784052
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 81389655
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride (CID 17331532) is N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride is CCOc1ccc(CNC2CCCCCCC2)cc1.Cl.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
The InChIKey is IDQPUIWVUUBXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.ClH/c1-2-19-17-12-10-15(11-13-17)14-18-16-8-6-4-3-5-7-9-16;/h10-13,16,18H,2-9,14H2,1H3;1H.
What are the key properties of N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride?
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride has a molecular weight of 297.87 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride is sourced from PubChem (CID 17331532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).