4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline

C14H22N2O — CID 63671675

IUPAC4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CCC(C)C2)ccc1N
InChIInChI=1S/C14H22N2O/c1-3-8-17-14-9-12(4-5-13(14)15)16-7-6-11(2)10-16/h4-5,9,11H,3,6-8,10,15H2,1-2H3
InChIKeyYUMYUSWCCPCKIF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.90
Rot. Bonds4

About 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline

4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline (PubChem CID 63671675) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline
PubChem CID63671675
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline
SMILESCCCOc1cc(N2CCC(C)C2)ccc1N
InChIInChI=1S/C14H22N2O/c1-3-8-17-14-9-12(4-5-13(14)15)16-7-6-11(2)10-16/h4-5,9,11H,3,6-8,10,15H2,1-2H3
InChIKeyYUMYUSWCCPCKIF-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxyaniline
CID 115558926
1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide
CID 63669903
2-propoxy-4-thiomorpholin-4-ylaniline
CID 63672277
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxyaniline
CID 63670322
4-(4-propan-2-ylpiperazin-1-yl)-2-propoxyaniline
CID 63669983
4-(4-methyl-1,4-diazepan-1-yl)-2-propoxyaniline
CID 63671935
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777483
4-(4-amino-3-propoxyphenyl)-1-methylpiperazin-2-one
CID 64682580
4-(4-butan-2-ylpiperazin-1-yl)-2-propoxyaniline
CID 63677340
1-(4-amino-3-methoxyphenyl)-4-methylpiperidin-3-ol
CID 102955530
4-(2,5-dimethylmorpholin-4-yl)-2-propoxyaniline
CID 63671664

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline?
The IUPAC name of 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline (CID 63671675) is 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline.
What is the SMILES notation for 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline?
The canonical SMILES for 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline is CCCOc1cc(N2CCC(C)C2)ccc1N.
What is the InChIKey of 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline?
The InChIKey is YUMYUSWCCPCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-8-17-14-9-12(4-5-13(14)15)16-7-6-11(2)10-16/h4-5,9,11H,3,6-8,10,15H2,1-2H3.
What are the key properties of 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline?
4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline has a molecular weight of 234.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-1-yl)-2-propoxyaniline is sourced from PubChem (CID 63671675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).