N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine

C15H21NO — CID 55021286

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
SMILESC1=CCC(CNCCOc2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-3-7-14(8-4-1)13-16-11-12-17-15-9-5-2-6-10-15/h1-3,5-6,9-10,14,16H,4,7-8,11-13H2
InChIKeyIQLKBGZNGOPVPQ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.01
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine (PubChem CID 55021286) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
PubChem CID55021286
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
SMILESC1=CCC(CNCCOc2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-3-7-14(8-4-1)13-16-11-12-17-15-9-5-2-6-10-15/h1-3,5-6,9-10,14,16H,4,7-8,11-13H2
InChIKeyIQLKBGZNGOPVPQ-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.01
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'}

Analyze N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 60663419
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293
N-[(2,2-diphenyl-1,3-dioxan-5-yl)methyl]-2-phenoxyethanamine
CID 155552821
N-[(3-chlorocyclohexyl)methyl]-2-phenoxyethanamine
CID 114146369
2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
CID 83211813
1-cyclohex-3-en-1-yl-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776459
N-[(3-chlorocyclobutyl)methyl]-3-phenoxypropan-1-amine
CID 66005855
[1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-phenoxyethyl)piperidin-4-yl]methanol
CID 42511894
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
CID 43081150
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 4792508
1-(cyclohex-3-en-1-ylmethylamino)-2-phenylpropan-2-ol
CID 62373536
(2R)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-2-phenylacetamide
CID 94209163

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine (CID 55021286) is N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine is C1=CCC(CNCCOc2ccccc2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine?
The InChIKey is IQLKBGZNGOPVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-7-14(8-4-1)13-16-11-12-17-15-9-5-2-6-10-15/h1-3,5-6,9-10,14,16H,4,7-8,11-13H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.01, 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-phenoxyethanamine is sourced from PubChem (CID 55021286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).