1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

C17H25NO — CID 105022201

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)C2C3CCCCC32)c1
InChIInChI=1S/C17H25NO/c1-3-19-13-8-6-7-12(11-13)17(18-2)16-14-9-4-5-10-15(14)16/h6-8,11,14-18H,3-5,9-10H2,1-2H3
InChIKeyVOSCDMKWJKHXGH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds5

About 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine

1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (PubChem CID 105022201) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
PubChem CID105022201
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1cccc(C(NC)C2C3CCCCC32)c1
InChIInChI=1S/C17H25NO/c1-3-19-13-8-6-7-12(11-13)17(18-2)16-14-9-4-5-10-15(14)16/h6-8,11,14-18H,3-5,9-10H2,1-2H3
InChIKeyVOSCDMKWJKHXGH-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173171
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173320
cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 54144230
N-[6-bicyclo[3.1.0]hexanyl-(3-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018978

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine (CID 105022201) is 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is CCOc1cccc(C(NC)C2C3CCCCC32)c1.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is VOSCDMKWJKHXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-19-13-8-6-7-12(11-13)17(18-2)16-14-9-4-5-10-15(14)16/h6-8,11,14-18H,3-5,9-10H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 105022201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).