N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine

C18H26N2O — CID 79108905

IUPACN-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(Cc2ccccc2OC)c1
InChIInChI=1S/C18H26N2O/c1-4-8-17(19-5-2)15-11-12-20(13-15)14-16-9-6-7-10-18(16)21-3/h6-7,9-13,17,19H,4-5,8,14H2,1-3H3
InChIKeyXAWWTISHGUVTAF-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.00
Rot. Bonds8

About N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine

N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79108905) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID79108905
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(Cc2ccccc2OC)c1
InChIInChI=1S/C18H26N2O/c1-4-8-17(19-5-2)15-11-12-20(13-15)14-16-9-6-7-10-18(16)21-3/h6-7,9-13,17,19H,4-5,8,14H2,1-3H3
InChIKeyXAWWTISHGUVTAF-UHFFFAOYSA-N
XLogP4.00
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79109118
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109053
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829
N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109629
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
N-methyl-1-[1-[(2-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109106
cyclopropyl-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]methanamine
CID 79104344
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741
N-ethyl-1-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrol-3-yl]butan-1-amine
CID 79109742
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104817

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine (CID 79108905) is N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(NCC)c1ccn(Cc2ccccc2OC)c1.
What is the InChIKey of N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is XAWWTISHGUVTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-8-17(19-5-2)15-11-12-20(13-15)14-16-9-6-7-10-18(16)21-3/h6-7,9-13,17,19H,4-5,8,14H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine?
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79108905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).