N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine

C17H25NO — CID 60936319

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCC1CC=CCC1
InChIInChI=1S/C17H25NO/c1-14(18-13-15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)19-2/h3-4,6-7,10-11,14-15,18H,5,8-9,12-13H2,1-2H3
InChIKeyCTWIXBGUSVGHFX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.57
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine

N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine (PubChem CID 60936319) 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-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
PubChem CID60936319
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(C)NCC1CC=CCC1
InChIInChI=1S/C17H25NO/c1-14(18-13-15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)19-2/h3-4,6-7,10-11,14-15,18H,5,8-9,12-13H2,1-2H3
InChIKeyCTWIXBGUSVGHFX-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.57
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

N-(cyclohex-3-en-1-ylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 113226908
1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 119165105
(1S)-N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-phenylethanamine
CID 40641093
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
N-(2-cyclohexyloxyethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 63828165
N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 60663419
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225394
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
N-(2-fluoroethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 110174086
1-(2-chlorophenyl)-N-(cyclopropylmethyl)propan-2-amine
CID 43677533
2-[1-(2-methoxyphenyl)propan-2-ylamino]ethanol
CID 18627851

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine (CID 60936319) is N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(C)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine?
The InChIKey is CTWIXBGUSVGHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-14(18-13-15-8-4-3-5-9-15)12-16-10-6-7-11-17(16)19-2/h3-4,6-7,10-11,14-15,18H,5,8-9,12-13H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 3.57, 6 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-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 60936319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).