N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine

C19H27NO2 — CID 86782266

IUPACN-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine
SMILESCOc1ccc(C(NC2C=CCCC2)C2CCOCC2)cc1
InChIInChI=1S/C19H27NO2/c1-21-18-9-7-15(8-10-18)19(16-11-13-22-14-12-16)20-17-5-3-2-4-6-17/h3,5,7-10,16-17,19-20H,2,4,6,11-14H2,1H3
InChIKeyUSFZEQPIOOKLGJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.86
Rot. Bonds5

About N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine

N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine (PubChem CID 86782266) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine
PubChem CID86782266
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC NameN-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine
SMILESCOc1ccc(C(NC2C=CCCC2)C2CCOCC2)cc1
InChIInChI=1S/C19H27NO2/c1-21-18-9-7-15(8-10-18)19(16-11-13-22-14-12-16)20-17-5-3-2-4-6-17/h3,5,7-10,16-17,19-20H,2,4,6,11-14H2,1H3
InChIKeyUSFZEQPIOOKLGJ-UHFFFAOYSA-N
XLogP3.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481696
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171468
N-[(4-methoxyphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 61276481
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-cyclohex-2-en-1-yl-2,4-dimethoxyaniline
CID 107906285
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-cyclohex-2-en-1-yl-2,5-dimethoxyaniline
CID 14931345
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
4-[chloro-(6-methoxynaphthalen-2-yl)methyl]oxane
CID 62906933
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984
2,4-dibromo-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 43780879

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine (CID 86782266) is N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine is COc1ccc(C(NC2C=CCCC2)C2CCOCC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine?
The InChIKey is USFZEQPIOOKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO2/c1-21-18-9-7-15(8-10-18)19(16-11-13-22-14-12-16)20-17-5-3-2-4-6-17/h3,5,7-10,16-17,19-20H,2,4,6,11-14H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine?
N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine has a molecular weight of 301.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(oxan-4-yl)methyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 86782266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).