1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine

C24H27NO — CID 142222323

IUPAC1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESC=Cc1ccc(C#CC2(NCc3ccc(OC)cc3)CCCCC2)cc1
InChIInChI=1S/C24H27NO/c1-3-20-7-9-21(10-8-20)15-18-24(16-5-4-6-17-24)25-19-22-11-13-23(26-2)14-12-22/h3,7-14,25H,1,4-6,16-17,19H2,2H3
InChIKeyRTCBAAOGUGQFBZ-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.18
Rot. Bonds5

About 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine

1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine (PubChem CID 142222323) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
PubChem CID142222323
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
SMILESC=Cc1ccc(C#CC2(NCc3ccc(OC)cc3)CCCCC2)cc1
InChIInChI=1S/C24H27NO/c1-3-20-7-9-21(10-8-20)15-18-24(16-5-4-6-17-24)25-19-22-11-13-23(26-2)14-12-22/h3,7-14,25H,1,4-6,16-17,19H2,2H3
InChIKeyRTCBAAOGUGQFBZ-UHFFFAOYSA-N
XLogP5.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-(2-phenylethynyl)cycloheptan-1-amine
CID 134835752
N-[(4-methoxyphenyl)methyl]-1-(2-phenylethynyl)cyclopentan-1-amine
CID 134835753
1-[2-(4-methoxyphenyl)ethynyl]-1-prop-2-enylcyclooctane
CID 166437073
N-benzyl-1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 147734496
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
1-[2-(4-methoxyphenyl)ethylamino]cyclopentane-1-carbonitrile
CID 28702701
1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine
CID 101456771
1-ethenyl-4-methoxybenzene;2-methylbuta-1,3-diene
CID 21495831
N-[(6-methoxynaphthalen-2-yl)methyl]-1-methylcyclopentan-1-amine
CID 61365160
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
(4-methoxyphenyl)methyl 4-ethenylbenzenesulfonate
CID 86126985
1-ethenyl-4-(1-methylcyclopentyl)oxybenzene
CID 19350374

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine (CID 142222323) is 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine is C=Cc1ccc(C#CC2(NCc3ccc(OC)cc3)CCCCC2)cc1.
What is the InChIKey of 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
The InChIKey is RTCBAAOGUGQFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-3-20-7-9-21(10-8-20)15-18-24(16-5-4-6-17-24)25-19-22-11-13-23(26-2)14-12-22/h3,7-14,25H,1,4-6,16-17,19H2,2H3.
What are the key properties of 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine?
1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine has a molecular weight of 345.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethenylphenyl)ethynyl]-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 142222323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).