N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine

C16H23NO — CID 4792508

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2CC=CCC2)cc1
InChIInChI=1S/C16H23NO/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-3,7-10,15,17H,4-6,11-13H2,1H3
InChIKeyPPIPDGQPFDTUSN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.18
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine (PubChem CID 4792508) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
PubChem CID4792508
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(CCNCC2CC=CCC2)cc1
InChIInChI=1S/C16H23NO/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-3,7-10,15,17H,4-6,11-13H2,1H3
InChIKeyPPIPDGQPFDTUSN-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106133202
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906
N-[(3-chlorocyclobutyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 66006279
N-(cyclohex-3-en-1-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 55062661
1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60707293
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
CID 55021286
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 6945656
2-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2904909
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 60593300
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
CID 115226003
N-(cyclohex-3-en-1-ylmethyl)-2-(cyclopenten-1-yl)ethanamine
CID 115762884

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine (CID 4792508) is N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine is COc1ccc(CCNCC2CC=CCC2)cc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
The InChIKey is PPIPDGQPFDTUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-18-16-9-7-14(8-10-16)11-12-17-13-15-5-3-2-4-6-15/h2-3,7-10,15,17H,4-6,11-13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.18, 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)-2-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 4792508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).