2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine

C14H22N2 — CID 114802511

IUPAC2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1cccc(CN2CCC(CCN)C2)c1
InChIInChI=1S/C14H22N2/c1-12-3-2-4-14(9-12)11-16-8-6-13(10-16)5-7-15/h2-4,9,13H,5-8,10-11,15H2,1H3
InChIKeyAZHVIAQPDDHXMT-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.17
Rot. Bonds4

About 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine

2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 114802511) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
PubChem CID114802511
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
SMILESCc1cccc(CN2CCC(CCN)C2)c1
InChIInChI=1S/C14H22N2/c1-12-3-2-4-14(9-12)11-16-8-6-13(10-16)5-7-15/h2-4,9,13H,5-8,10-11,15H2,1H3
InChIKeyAZHVIAQPDDHXMT-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
4-bromo-3-methyl-1-[(3-methylphenyl)methyl]piperidine
CID 114682467
2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 17221513
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
2-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728273
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine (CID 114802511) is 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine is Cc1cccc(CN2CCC(CCN)C2)c1.
What is the InChIKey of 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is AZHVIAQPDDHXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-3-2-4-14(9-12)11-16-8-6-13(10-16)5-7-15/h2-4,9,13H,5-8,10-11,15H2,1H3.
What are the key properties of 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine?
2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 114802511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).