N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine

C18H27NO2 — CID 114619678

IUPACN-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cccc(OCC)c1OC1C=CCCC1
InChIInChI=1S/C18H27NO2/c1-3-13-19-14-15-9-8-12-17(20-4-2)18(15)21-16-10-6-5-7-11-16/h6,8-10,12,16,19H,3-5,7,11,13-14H2,1-2H3
InChIKeyDOVWTFZFXYLJAA-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.07
Rot. Bonds8

About N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine

N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine (PubChem CID 114619678) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine
PubChem CID114619678
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1cccc(OCC)c1OC1C=CCCC1
InChIInChI=1S/C18H27NO2/c1-3-13-19-14-15-9-8-12-17(20-4-2)18(15)21-16-10-6-5-7-11-16/h6,8-10,12,16,19H,3-5,7,11,13-14H2,1-2H3
InChIKeyDOVWTFZFXYLJAA-UHFFFAOYSA-N
XLogP4.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.07
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-3-ethoxyphenyl)methyl]propan-1-amine 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-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
CID 114619680
N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
CID 114619741
N-[(3,5-dibromo-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 107742500
N-[[3-ethoxy-2-(oxolan-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61311100
5-[2-ethoxy-6-(propylaminomethyl)phenoxy]pentan-1-ol
CID 62229697
1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64750217
N-[(3-chloro-4-cyclohex-2-en-1-yloxyphenyl)methyl]propan-1-amine
CID 114619759
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine
CID 17206158
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
4-[2-ethoxy-6-(propylaminomethyl)phenoxy]butanenitrile
CID 60881898
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]propan-1-amine;hydrochloride
CID 17206157
4-cyclohex-2-en-1-yloxy-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 114619832

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine (CID 114619678) is N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine is CCCNCc1cccc(OCC)c1OC1C=CCCC1.
What is the InChIKey of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine?
The InChIKey is DOVWTFZFXYLJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-13-19-14-15-9-8-12-17(20-4-2)18(15)21-16-10-6-5-7-11-16/h6,8-10,12,16,19H,3-5,7,11,13-14H2,1-2H3.
What are the key properties of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine?
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.07, 8 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-3-ethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114619678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).