4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline

C14H22N2 — CID 115341800

IUPAC4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
SMILESCC1CCCN1CCCc1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-12-4-2-10-16(12)11-3-5-13-6-8-14(15)9-7-13/h6-9,12H,2-5,10-11,15H2,1H3
InChIKeyINGHQKLVXMDDGM-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.69
Rot. Bonds4

About 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline

4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline (PubChem CID 115341800) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline.

Molecular Properties

Compound Name4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
PubChem CID115341800
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline
SMILESCC1CCCN1CCCc1ccc(N)cc1
InChIInChI=1S/C14H22N2/c1-12-4-2-10-16(12)11-3-5-13-6-8-14(15)9-7-13/h6-9,12H,2-5,10-11,15H2,1H3
InChIKeyINGHQKLVXMDDGM-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
4-[4-(2-methylpiperidin-1-yl)butyl]phenol
CID 82187998
4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline
CID 60974787
4-[2-(2-methylpyrrolidin-1-yl)ethyl]benzoic acid
CID 79680062
4-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104688951
4-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]aniline
CID 79941257
3-[3-(2-methylpiperidin-1-yl)propyl]phenol
CID 82187955
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]aniline
CID 1084714
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
2-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]ethanamine
CID 43253338
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline?
The IUPAC name of 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline (CID 115341800) is 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline.
What is the SMILES notation for 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline?
The canonical SMILES for 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline is CC1CCCN1CCCc1ccc(N)cc1.
What is the InChIKey of 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline?
The InChIKey is INGHQKLVXMDDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-2-10-16(12)11-3-5-13-6-8-14(15)9-7-13/h6-9,12H,2-5,10-11,15H2,1H3.
What are the key properties of 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline?
4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpyrrolidin-1-yl)propyl]aniline is sourced from PubChem (CID 115341800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).