N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine

C19H26N2O — CID 42795108

IUPACN-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)Cc1cccn1Cc1ccc(C)cc1
InChIInChI=1S/C19H26N2O/c1-4-11-20(13-14-22-3)16-19-6-5-12-21(19)15-18-9-7-17(2)8-10-18/h4-10,12H,1,11,13-16H2,2-3H3
InChIKeyMQPCXCWDMPPPME-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.48
Rot. Bonds9

About N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine

N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine (PubChem CID 42795108) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
PubChem CID42795108
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine
SMILESC=CCN(CCOC)Cc1cccn1Cc1ccc(C)cc1
InChIInChI=1S/C19H26N2O/c1-4-11-20(13-14-22-3)16-19-6-5-12-21(19)15-18-9-7-17(2)8-10-18/h4-10,12H,1,11,13-16H2,2-3H3
InChIKeyMQPCXCWDMPPPME-UHFFFAOYSA-N
XLogP3.48
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-3-methoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 7226372
1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-prop-2-enoxypropan-2-ol
CID 42666530
N-[(3,4-difluorophenyl)methyl]-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 42797080
N-(2-methoxyethyl)-2-(4-methoxyphenyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]acetamide
CID 42663070
N-[(4-tert-butylphenyl)methyl]-2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 7296815
(2R)-1-[(1-benzylpyrrol-2-yl)methyl-prop-2-enylamino]propan-2-ol
CID 7338461
2-fluoro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3949109
1-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]-3-methoxypropan-2-ol
CID 42794817
1-[(1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)amino]hex-5-en-2-ol
CID 42794651
3-chloro-N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3448969
(2R)-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl-(2-methoxyethyl)amino]pentan-2-ol
CID 93116158
(2R)-1-[2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]hex-5-en-2-ol
CID 7415804

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine (CID 42795108) is N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine is C=CCN(CCOC)Cc1cccn1Cc1ccc(C)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine?
The InChIKey is MQPCXCWDMPPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-4-11-20(13-14-22-3)16-19-6-5-12-21(19)15-18-9-7-17(2)8-10-18/h4-10,12H,1,11,13-16H2,2-3H3.
What are the key properties of N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine?
N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine has a molecular weight of 298.43 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 42795108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).