N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine

C18H26N2O — CID 79109629

IUPACN-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H26N2O/c1-5-17(19-6-2)15-9-10-20(12-15)13-16-11-14(3)7-8-18(16)21-4/h7-12,17,19H,5-6,13H2,1-4H3
InChIKeyULNOXVRPXFSUPM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.91
Rot. Bonds7

About N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine

N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine (PubChem CID 79109629) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
PubChem CID79109629
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine
SMILESCCNC(CC)c1ccn(Cc2cc(C)ccc2OC)c1
InChIInChI=1S/C18H26N2O/c1-5-17(19-6-2)15-9-10-20(12-15)13-16-11-14(3)7-8-18(16)21-4/h7-12,17,19H,5-6,13H2,1-4H3
InChIKeyULNOXVRPXFSUPM-UHFFFAOYSA-N
XLogP3.91
TPSA26.19 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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
CID 79105867
1-[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]-N-ethylpropan-1-amine
CID 106865936
N-ethyl-1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108905
N-ethyl-1-[1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104817
4-[[3-[1-(ethylamino)propyl]pyrrol-1-yl]methyl]-3-methylbenzonitrile
CID 114485050
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-pyridin-4-ylethanamine
CID 62161192
N-ethyl-3-(2-methoxy-5-methylphenyl)-1-phenylpropan-1-amine
CID 62159966
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
N-ethyl-1-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105165
N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
CID 79107502

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine (CID 79109629) is N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine is CCNC(CC)c1ccn(Cc2cc(C)ccc2OC)c1.
What is the InChIKey of N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
The InChIKey is ULNOXVRPXFSUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-17(19-6-2)15-9-10-20(12-15)13-16-11-14(3)7-8-18(16)21-4/h7-12,17,19H,5-6,13H2,1-4H3.
What are the key properties of N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine?
N-ethyl-1-[1-[(2-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.91, 7 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-methoxy-5-methylphenyl)methyl]pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79109629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).