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

C13H20N2 — CID 96618274

IUPAC2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine
SMILESCc1cccc(N2CCC[C@H]2CCN)c1
InChIInChI=1S/C13H20N2/c1-11-4-2-5-13(10-11)15-9-3-6-12(15)7-8-14/h2,4-5,10,12H,3,6-9,14H2,1H3/t12-/m0/s1
InChIKeyORZACYJDJPLERI-LBPRGKRZSA-N
MW204.32 g/mol
LogP2.31
Rot. Bonds3

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

2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine (PubChem CID 96618274) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine
PubChem CID96618274
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine
SMILESCc1cccc(N2CCC[C@H]2CCN)c1
InChIInChI=1S/C13H20N2/c1-11-4-2-5-13(10-11)15-9-3-6-12(15)7-8-14/h2,4-5,10,12H,3,6-9,14H2,1H3/t12-/m0/s1
InChIKeyORZACYJDJPLERI-LBPRGKRZSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methylphenyl)azetidin-2-yl]ethanamine
CID 115018339
[(2R,3R)-2-methyl-1-(3-methylphenyl)azepan-3-yl]methanamine
CID 96598379
1-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 15157503
2-[1-(4-methyl-2-pyridinyl)piperidin-2-yl]ethanamine
CID 63766267
2-[1-(3-methyl-5-nitrophenyl)piperidin-2-yl]ethanamine
CID 112649492
2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]ethanamine
CID 117028629
2-(3-cyclopropylphenyl)-1-(3-methylphenyl)pyrrolidine
CID 134300269
4-(1-phenylpiperidin-2-yl)butan-1-amine
CID 70110239
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
[1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanamine
CID 3072417
1-(2-bromophenyl)-3-[[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]methyl]urea
CID 10110806
2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine (CID 96618274) is 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine is Cc1cccc(N2CCC[C@H]2CCN)c1.
What is the InChIKey of 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine?
The InChIKey is ORZACYJDJPLERI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-2-5-13(10-11)15-9-3-6-12(15)7-8-14/h2,4-5,10,12H,3,6-9,14H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine?
2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(3-methylphenyl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 96618274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).