1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine

C16H23NO2 — CID 114620682

IUPAC1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OC2C=CCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12(17)10-13-8-9-15(18-2)11-16(13)19-14-6-4-3-5-7-14/h4,6,8-9,11-12,14H,3,5,7,10,17H2,1-2H3
InChIKeySWHLDTLXBZPISC-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine

1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine (PubChem CID 114620682) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
PubChem CID114620682
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)N)c(OC2C=CCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12(17)10-13-8-9-15(18-2)11-16(13)19-14-6-4-3-5-7-14/h4,6,8-9,11-12,14H,3,5,7,10,17H2,1-2H3
InChIKeySWHLDTLXBZPISC-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.07
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

(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
CID 104940189
N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
CID 114619741
1-[4-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137128
4-(4-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114619610
1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
CID 114620675
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)propan-2-amine
CID 114620704
1-[4-methoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385912
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-(2-bromo-5-cycloheptyloxyphenyl)propan-2-amine
CID 82930684
1-[4-methoxy-2-[3-(2-methoxyethoxy)propoxy]phenyl]propan-2-amine
CID 103411540
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine (CID 114620682) is 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)N)c(OC2C=CCCC2)c1.
What is the InChIKey of 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine?
The InChIKey is SWHLDTLXBZPISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(17)10-13-8-9-15(18-2)11-16(13)19-14-6-4-3-5-7-14/h4,6,8-9,11-12,14H,3,5,7,10,17H2,1-2H3.
What are the key properties of 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine?
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 114620682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).