N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline

C17H24N2O — CID 66411969

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
SMILESCCn1cccc1CNc1ccc(OC(C)C)cc1C
InChIInChI=1S/C17H24N2O/c1-5-19-10-6-7-15(19)12-18-17-9-8-16(11-14(17)4)20-13(2)3/h6-11,13,18H,5,12H2,1-4H3
InChIKeyGWFGADIDDCQEAM-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.22
Rot. Bonds6

About N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline

N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline (PubChem CID 66411969) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
PubChem CID66411969
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
SMILESCCn1cccc1CNc1ccc(OC(C)C)cc1C
InChIInChI=1S/C17H24N2O/c1-5-19-10-6-7-15(19)12-18-17-9-8-16(11-14(17)4)20-13(2)3/h6-11,13,18H,5,12H2,1-4H3
InChIKeyGWFGADIDDCQEAM-UHFFFAOYSA-N
XLogP4.22
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.22
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

N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoro-2-methylaniline
CID 66413254
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 115682395
5-bromo-N-[(1-ethylpyrrol-2-yl)methyl]-2-methylaniline
CID 66410961
N-[(1-ethylpyrrol-2-yl)methyl]-2-fluoro-4-methylaniline
CID 66412091
2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474227
3-chloro-N-[(1-ethylpyrrol-2-yl)methyl]-4-propan-2-yloxyaniline
CID 66412521
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
2-methyl-2-[(2-methyl-4-propan-2-yloxyanilino)methyl]butan-1-ol
CID 81418502
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 105401404
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66480538
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
CID 104749166

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline (CID 66411969) is N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline is CCn1cccc1CNc1ccc(OC(C)C)cc1C.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline?
The InChIKey is GWFGADIDDCQEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-19-10-6-7-15(19)12-18-17-9-8-16(11-14(17)4)20-13(2)3/h6-11,13,18H,5,12H2,1-4H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline?
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline has a molecular weight of 272.39 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline is sourced from PubChem (CID 66411969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).