N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine

C17H25NO2 — CID 114619741

IUPACN-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OC1C=CCCC1
InChIInChI=1S/C17H25NO2/c1-3-11-18-13-14-9-10-16(19-2)12-17(14)20-15-7-5-4-6-8-15/h5,7,9-10,12,15,18H,3-4,6,8,11,13H2,1-2H3
InChIKeyQTKFBNCHQMNIRJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.68
Rot. Bonds7

About N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine

N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 114619741) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
PubChem CID114619741
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1OC1C=CCCC1
InChIInChI=1S/C17H25NO2/c1-3-11-18-13-14-9-10-16(19-2)12-17(14)20-15-7-5-4-6-8-15/h5,7,9-10,12,15,18H,3-4,6,8,11,13H2,1-2H3
InChIKeyQTKFBNCHQMNIRJ-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine with MolForge

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Related Compounds

1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
N-[(3-chloro-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 114619759
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine
CID 114619678
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 107742500
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[[4-methoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61312439
N-[(2-bromo-5-cycloheptyloxyphenyl)methyl]propan-1-amine
CID 82925799
N-[(2-cyclohexyloxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63056453
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine (CID 114619741) is N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OC)cc1OC1C=CCCC1.
What is the InChIKey of N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is QTKFBNCHQMNIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-11-18-13-14-9-10-16(19-2)12-17(14)20-15-7-5-4-6-8-15/h5,7,9-10,12,15,18H,3-4,6,8,11,13H2,1-2H3.
What are the key properties of N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine?
N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114619741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).