N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine

C23H29NO2 — CID 68855286

IUPACN-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CNCCc2ccc(C)cc2)cc1O[C@H]1C=CCCC1
InChIInChI=1S/C23H29NO2/c1-18-8-10-19(11-9-18)14-15-24-17-20-12-13-22(25-2)23(16-20)26-21-6-4-3-5-7-21/h4,6,8-13,16,21,24H,3,5,7,14-15,17H2,1-2H3/t21-/m0/s1
InChIKeyVPRCOLKANXIATB-NRFANRHFSA-N
MW351.49 g/mol
LogP4.82
Rot. Bonds8

About N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine

N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine (PubChem CID 68855286) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine
PubChem CID68855286
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine
SMILESCOc1ccc(CNCCc2ccc(C)cc2)cc1O[C@H]1C=CCCC1
InChIInChI=1S/C23H29NO2/c1-18-8-10-19(11-9-18)14-15-24-17-20-12-13-22(25-2)23(16-20)26-21-6-4-3-5-7-21/h4,6,8-13,16,21,24H,3,5,7,14-15,17H2,1-2H3/t21-/m0/s1
InChIKeyVPRCOLKANXIATB-NRFANRHFSA-N
XLogP4.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine with MolForge

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Related Compounds

N-[(3-chloro-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 114619759
1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
CID 114620675
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
(1R)-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 24955185
N-[(2-cyclohex-2-en-1-yloxy-5-methylphenyl)methyl]-2-methylpropan-1-amine
CID 114619845
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
CID 114619741
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
N-[(3-chloro-4-cyclohex-2-en-1-yloxy-5-methoxyphenyl)methyl]ethanamine
CID 114619629
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
1-[2-methoxy-5-[[2-(4-methylphenyl)ethylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45181161

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine?
The IUPAC name of N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine (CID 68855286) is N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine is COc1ccc(CNCCc2ccc(C)cc2)cc1O[C@H]1C=CCCC1.
What is the InChIKey of N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine?
The InChIKey is VPRCOLKANXIATB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29NO2/c1-18-8-10-19(11-9-18)14-15-24-17-20-12-13-22(25-2)23(16-20)26-21-6-4-3-5-7-21/h4,6,8-13,16,21,24H,3,5,7,14-15,17H2,1-2H3/t21-/m0/s1.
What are the key properties of N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine?
N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine has a molecular weight of 351.49 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 68855286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).