1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine

C13H20N2 — CID 61224430

IUPAC1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC1CCN(c2ccccc2C(C)N)C1
InChIInChI=1S/C13H20N2/c1-10-7-8-15(9-10)13-6-4-3-5-12(13)11(2)14/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyFWWXDMDQJPWUDM-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.55
Rot. Bonds2

About 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine

1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 61224430) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID61224430
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC1CCN(c2ccccc2C(C)N)C1
InChIInChI=1S/C13H20N2/c1-10-7-8-15(9-10)13-6-4-3-5-12(13)11(2)14/h3-6,10-11H,7-9,14H2,1-2H3
InChIKeyFWWXDMDQJPWUDM-UHFFFAOYSA-N
XLogP2.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,4,5-trimethylpiperazin-1-yl)phenyl]ethanamine
CID 114538247
(1S)-1-[2-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 78935250
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanamine
CID 115560215
1-[2-[(1S)-1-aminoethyl]phenyl]piperidine-3-carboxamide
CID 78935941
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 78934565
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]ethanamine
CID 78935482
2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862657
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
1-[5-bromo-2-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 82971938
1-[2-(3-propoxypiperidin-1-yl)phenyl]ethanamine
CID 54989682

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine (CID 61224430) is 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine is CC1CCN(c2ccccc2C(C)N)C1.
What is the InChIKey of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is FWWXDMDQJPWUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-7-8-15(9-10)13-6-4-3-5-12(13)11(2)14/h3-6,10-11H,7-9,14H2,1-2H3.
What are the key properties of 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine?
1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 61224430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).