(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine

C13H20N2 — CID 63369438

IUPAC(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN1c1ccc([C@H](C)N)cc1
InChIInChI=1S/C13H20N2/c1-10-4-3-9-15(10)13-7-5-12(6-8-13)11(2)14/h5-8,10-11H,3-4,9,14H2,1-2H3/t10?,11-/m0/s1
InChIKeyZTPTWKSSMXPQLZ-DTIOYNMSSA-N
MW204.32 g/mol
LogP2.69
Rot. Bonds2

About (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine

(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 63369438) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID63369438
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
SMILESCC1CCCN1c1ccc([C@H](C)N)cc1
InChIInChI=1S/C13H20N2/c1-10-4-3-9-15(10)13-7-5-12(6-8-13)11(2)14/h5-8,10-11H,3-4,9,14H2,1-2H3/t10?,11-/m0/s1
InChIKeyZTPTWKSSMXPQLZ-DTIOYNMSSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 78939900
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanol
CID 63371155
(1R)-1-[4-(2-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065949
1-[4-(1-aminoethyl)phenyl]pyrrolidine-2-carbaldehyde
CID 167239299
(1R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]ethanamine
CID 93111746
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
1-(4-chlorophenyl)-2-methylpyrrolidine
CID 67847913
(1S)-1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)phenyl]ethanamine
CID 82750821
1-[5-(2-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83122710
1-[4-(1-aminoethyl)phenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196462
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine (CID 63369438) is (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine is CC1CCCN1c1ccc([C@H](C)N)cc1.
What is the InChIKey of (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is ZTPTWKSSMXPQLZ-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-3-9-15(10)13-7-5-12(6-8-13)11(2)14/h5-8,10-11H,3-4,9,14H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine?
(1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63369438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).