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

C18H26N2O — CID 114413214

IUPACN-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC1=CCN(CCOc2cccc(CNC3CC3)c2)CC1
InChIInChI=1S/C18H26N2O/c1-15-7-9-20(10-8-15)11-12-21-18-4-2-3-16(13-18)14-19-17-5-6-17/h2-4,7,13,17,19H,5-6,8-12,14H2,1H3
InChIKeyXUXXHNPKLWDQRI-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.97
Rot. Bonds7

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

N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (PubChem CID 114413214) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
PubChem CID114413214
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
SMILESCC1=CCN(CCOc2cccc(CNC3CC3)c2)CC1
InChIInChI=1S/C18H26N2O/c1-15-7-9-20(10-8-15)11-12-21-18-4-2-3-16(13-18)14-19-17-5-6-17/h2-4,7,13,17,19H,5-6,8-12,14H2,1H3
InChIKeyXUXXHNPKLWDQRI-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.97
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-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
[3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]methanamine
CID 114462596
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
N-[[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62440828
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
3-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]aniline
CID 82364127
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
N-[[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62446801
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 114413229
N-[[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropoxy]phenyl]methyl]cyclopentanamine
CID 166684581

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine (CID 114413214) is N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is CC1=CCN(CCOc2cccc(CNC3CC3)c2)CC1.
What is the InChIKey of N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is XUXXHNPKLWDQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15-7-9-20(10-8-15)11-12-21-18-4-2-3-16(13-18)14-19-17-5-6-17/h2-4,7,13,17,19H,5-6,8-12,14H2,1H3.
What are the key properties of N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine?
N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114413214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).