1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine

C20H22N2O — CID 174765518

IUPAC1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine
SMILESCOc1cccc(Cc2cc(-c3ccccc3)c(C(C)N)[nH]2)c1
InChIInChI=1S/C20H22N2O/c1-14(21)20-19(16-8-4-3-5-9-16)13-17(22-20)11-15-7-6-10-18(12-15)23-2/h3-10,12-14,22H,11,21H2,1-2H3
InChIKeyUYQFPFNIJUNSFK-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.30
Rot. Bonds5

About 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine

1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine (PubChem CID 174765518) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine
PubChem CID174765518
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine
SMILESCOc1cccc(Cc2cc(-c3ccccc3)c(C(C)N)[nH]2)c1
InChIInChI=1S/C20H22N2O/c1-14(21)20-19(16-8-4-3-5-9-16)13-17(22-20)11-15-7-6-10-18(12-15)23-2/h3-10,12-14,22H,11,21H2,1-2H3
InChIKeyUYQFPFNIJUNSFK-UHFFFAOYSA-N
XLogP4.30
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
CID 118471216
2-[(3-methoxyphenyl)methyl]-1H-pyrrole
CID 12872045
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
3-[(3-methoxyphenyl)methyl]-5-methyl-1H-pyrazole
CID 82076606
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
(1S)-1-[3-(3-methoxyphenyl)phenyl]ethanamine
CID 93461021
(3-methoxyphenyl)(113C)methanol
CID 11593446
3-fluoro-4-(3-methoxyphenyl)butan-2-amine
CID 105450748
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine (CID 174765518) is 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine is COc1cccc(Cc2cc(-c3ccccc3)c(C(C)N)[nH]2)c1.
What is the InChIKey of 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine?
The InChIKey is UYQFPFNIJUNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-14(21)20-19(16-8-4-3-5-9-16)13-17(22-20)11-15-7-6-10-18(12-15)23-2/h3-10,12-14,22H,11,21H2,1-2H3.
What are the key properties of 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine?
1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine has a molecular weight of 306.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methoxyphenyl)methyl]-3-phenyl-1H-pyrrol-2-yl]ethanamine is sourced from PubChem (CID 174765518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).