N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C17H25NO — CID 43225394

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCC1CC=CCC1
InChIInChI=1S/C17H25NO/c1-13-9-10-17(19-3)16(11-13)14(2)18-12-15-7-5-4-6-8-15/h4-5,9-11,14-15,18H,6-8,12H2,1-3H3
InChIKeyQKHGLSBTEYKATR-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.01
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 43225394) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID43225394
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NCC1CC=CCC1
InChIInChI=1S/C17H25NO/c1-13-9-10-17(19-3)16(11-13)14(2)18-12-15-7-5-4-6-8-15/h4-5,9-11,14-15,18H,6-8,12H2,1-3H3
InChIKeyQKHGLSBTEYKATR-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43685228
(1R)-N-(cyclohex-3-en-1-ylmethyl)-1-(3-methylphenyl)ethanamine
CID 81363043
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(cyclohex-3-en-1-ylmethyl)-4-methoxy-3-methylaniline
CID 61059642
1-(4-bromo-2-fluorophenyl)-N-(cyclohex-3-en-1-ylmethyl)ethanamine
CID 82964326
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115706375
N-(cyclohex-3-en-1-ylmethyl)-1-thiophen-3-ylethanamine
CID 62091594
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 43225394) is N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is QKHGLSBTEYKATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-9-10-17(19-3)16(11-13)14(2)18-12-15-7-5-4-6-8-15/h4-5,9-11,14-15,18H,6-8,12H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 43225394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).