N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine

C18H26N2 — CID 79108123

IUPACN-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C18H26N2/c1-4-6-18(19-5-2)17-11-12-20(14-17)13-16-9-7-15(3)8-10-16/h7-12,14,18-19H,4-6,13H2,1-3H3
InChIKeyWRZIXBYHCARUOE-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.30
Rot. Bonds7

About N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine

N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine (PubChem CID 79108123) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
PubChem CID79108123
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(Cc2ccc(C)cc2)c1
InChIInChI=1S/C18H26N2/c1-4-6-18(19-5-2)17-11-12-20(14-17)13-16-9-7-15(3)8-10-16/h7-12,14,18-19H,4-6,13H2,1-3H3
InChIKeyWRZIXBYHCARUOE-UHFFFAOYSA-N
XLogP4.30
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
N-methyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105497
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79109118
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
1-[1-[(5-bromothiophen-2-yl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108463
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108905
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79110051
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 106865936
N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79108467

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine (CID 79108123) is N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine is CCCC(NCC)c1ccn(Cc2ccc(C)cc2)c1.
What is the InChIKey of N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine?
The InChIKey is WRZIXBYHCARUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-4-6-18(19-5-2)17-11-12-20(14-17)13-16-9-7-15(3)8-10-16/h7-12,14,18-19H,4-6,13H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine?
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79108123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).