4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline

C15H24N2O — CID 63675552

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CCCC2(C)C)ccc1N
InChIInChI=1S/C15H24N2O/c1-4-10-18-14-11-12(6-7-13(14)16)17-9-5-8-15(17,2)3/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyHESFPIMYTPWFDT-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.44
Rot. Bonds4

About 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline

4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline (PubChem CID 63675552) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline
PubChem CID63675552
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CCCC2(C)C)ccc1N
InChIInChI=1S/C15H24N2O/c1-4-10-18-14-11-12(6-7-13(14)16)17-9-5-8-15(17,2)3/h6-7,11H,4-5,8-10,16H2,1-3H3
InChIKeyHESFPIMYTPWFDT-UHFFFAOYSA-N
XLogP3.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 74625
2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
CID 20136253
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CID 21144261
2,5-Diethoxy-4-(4-morpholinyl)benzenamine
CID 98599
1-(4-Amino-2-methoxyphenyl)pyrrolidin-2-one
CID 13062329
2-Methoxy-N4-phenyl-1,4-phenylenediamine
CID 611802
N,N-diethyl-7-pyrrolidin-1-ium-1-ylidenephenoxazin-3-amine chloride
CID 24881273
Dimethyl-(7-pyrrolidin-1-ylphenoxazin-3-ylidene)azanium chloride
CID 24882271
N,N-dipropyl-7-pyrrolidin-1-ium-1-ylidenephenoxazin-3-amine chloride
CID 24882273
1-(3-Ethoxy-4-nitrophenyl)pyrrolidine
CID 2903046
1-(3-Methoxyphenyl)pyrrolidine
CID 11217561
Benzenediazonium, 4-(diethylamino)-2-ethoxy-, hexafluoroarsenate(1-) (1:1)
CID 113152

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline (CID 63675552) is 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline is CCCOc1cc(N2CCCC2(C)C)ccc1N.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline?
The InChIKey is HESFPIMYTPWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-10-18-14-11-12(6-7-13(14)16)17-9-5-8-15(17,2)3/h6-7,11H,4-5,8-10,16H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline?
4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-2-propoxyaniline is sourced from PubChem (CID 63675552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).