3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine

C15H24N2 — CID 63762657

IUPAC3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
SMILESCc1ccc(CN2CCCC2CCCN)cc1
InChIInChI=1S/C15H24N2/c1-13-6-8-14(9-7-13)12-17-11-3-5-15(17)4-2-10-16/h6-9,15H,2-5,10-12,16H2,1H3
InChIKeyZETCURVLMZXFKS-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.70
Rot. Bonds5

About 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine

3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine (PubChem CID 63762657) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
PubChem CID63762657
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine
SMILESCc1ccc(CN2CCCC2CCCN)cc1
InChIInChI=1S/C15H24N2/c1-13-6-8-14(9-7-13)12-17-11-3-5-15(17)4-2-10-16/h6-9,15H,2-5,10-12,16H2,1H3
InChIKeyZETCURVLMZXFKS-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
1-[1-[(4-methylphenyl)methyl]piperidin-2-yl]propan-2-amine
CID 83982346
2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63758972
2-(3-bromopropyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 80690776
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
3-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]propan-1-amine
CID 64799407
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102878849

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine (CID 63762657) is 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine is Cc1ccc(CN2CCCC2CCCN)cc1.
What is the InChIKey of 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine?
The InChIKey is ZETCURVLMZXFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-6-8-14(9-7-13)12-17-11-3-5-15(17)4-2-10-16/h6-9,15H,2-5,10-12,16H2,1H3.
What are the key properties of 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine?
3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 63762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).