N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine

C19H30N2O — CID 131912842

IUPACN-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine
SMILESCCC1C=CCN1Cc1ccc(OC)c(CN(CC)CC)c1
InChIInChI=1S/C19H30N2O/c1-5-18-9-8-12-21(18)14-16-10-11-19(22-4)17(13-16)15-20(6-2)7-3/h8-11,13,18H,5-7,12,14-15H2,1-4H3
InChIKeyQHBNGEOCFYYQFF-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.69
Rot. Bonds8

About N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine

N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine (PubChem CID 131912842) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine
PubChem CID131912842
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine
SMILESCCC1C=CCN1Cc1ccc(OC)c(CN(CC)CC)c1
InChIInChI=1S/C19H30N2O/c1-5-18-9-8-12-21(18)14-16-10-11-19(22-4)17(13-16)15-20(6-2)7-3/h8-11,13,18H,5-7,12,14-15H2,1-4H3
InChIKeyQHBNGEOCFYYQFF-UHFFFAOYSA-N
XLogP3.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine with MolForge

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Related Compounds

(2S)-2-ethyl-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,5-dihydropyrrole
CID 99938489
N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
CID 107398013
N-ethyl-N-[[5-[[(2-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenyl]methyl]ethanamine
CID 19625042
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
(2R)-1-[(4-methoxy-3-prop-2-enylphenyl)methyl]-2-methylpiperazine
CID 126435859
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 62017800
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
(3S,7S,8aS)-7-[[3-(diethylaminomethyl)-4-methoxyphenyl]methylamino]-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56856503
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine (CID 131912842) is N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine is CCC1C=CCN1Cc1ccc(OC)c(CN(CC)CC)c1.
What is the InChIKey of N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine?
The InChIKey is QHBNGEOCFYYQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-18-9-8-12-21(18)14-16-10-11-19(22-4)17(13-16)15-20(6-2)7-3/h8-11,13,18H,5-7,12,14-15H2,1-4H3.
What are the key properties of N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine?
N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine has a molecular weight of 302.46 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 131912842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).