N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine

C18H28N2O — CID 114413229

IUPACN-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC1=CCN(CCOc2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-15(2)19-14-17-4-6-18(7-5-17)21-13-12-20-10-8-16(3)9-11-20/h4-8,15,19H,9-14H2,1-3H3
InChIKeyVUKRKIGMFINXCE-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.22
Rot. Bonds7

About N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine

N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 114413229) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID114413229
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC1=CCN(CCOc2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-15(2)19-14-17-4-6-18(7-5-17)21-13-12-20-10-8-16(3)9-11-20/h4-8,15,19H,9-14H2,1-3H3
InChIKeyVUKRKIGMFINXCE-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413327
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 114413214
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447636
2-methyl-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylpropan-1-amine
CID 114413331
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[[5-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79782097
N-methyl-1-[4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methanamine
CID 114413205
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62440381
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine
CID 114462596
[2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413216

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 114413229) is N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine is CC1=CCN(CCOc2ccc(CNC(C)C)cc2)CC1.
What is the InChIKey of N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is VUKRKIGMFINXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(2)19-14-17-4-6-18(7-5-17)21-13-12-20-10-8-16(3)9-11-20/h4-8,15,19H,9-14H2,1-3H3.
What are the key properties of N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114413229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).