4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline

C17H24N2O — CID 66398402

IUPAC4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C17H24N2O/c1-4-10-19-11-9-15(13-19)12-18-16-5-7-17(8-6-16)20-14(2)3/h5-9,11,13-14,18H,4,10,12H2,1-3H3
InChIKeyCOUFZQVHKDNMSQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.30
Rot. Bonds7

About 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline

4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline (PubChem CID 66398402) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
PubChem CID66398402
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C17H24N2O/c1-4-10-19-11-9-15(13-19)12-18-16-5-7-17(8-6-16)20-14(2)3/h5-9,11,13-14,18H,4,10,12H2,1-3H3
InChIKeyCOUFZQVHKDNMSQ-UHFFFAOYSA-N
XLogP4.30
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
CID 82720010
N-[(1-ethylpyrrol-3-yl)methyl]-4-propoxyaniline
CID 66413824
2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 66415335
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
3-bromo-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416185
3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
3-chloro-4-propoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66414383
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750
N-[(4-pentoxyphenyl)methyl]-4-propan-2-yloxyaniline
CID 54799858

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline (CID 66398402) is 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline is CCCn1ccc(CNc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The InChIKey is COUFZQVHKDNMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-10-19-11-9-15(13-19)12-18-16-5-7-17(8-6-16)20-14(2)3/h5-9,11,13-14,18H,4,10,12H2,1-3H3.
What are the key properties of 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline has a molecular weight of 272.39 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66398402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).