[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol

C13H20N2O — CID 103942779

IUPAC[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
SMILESC[C@H](N)c1ccc(N2CCC(CO)C2)cc1
InChIInChI=1S/C13H20N2O/c1-10(14)12-2-4-13(5-3-12)15-7-6-11(8-15)9-16/h2-5,10-11,16H,6-9,14H2,1H3/t10-,11?/m0/s1
InChIKeyZRHDJJXJMCPHDB-VUWPPUDQSA-N
MW220.32 g/mol
LogP1.52
Rot. Bonds3

About [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol

[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol (PubChem CID 103942779) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
PubChem CID103942779
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
SMILESC[C@H](N)c1ccc(N2CCC(CO)C2)cc1
InChIInChI=1S/C13H20N2O/c1-10(14)12-2-4-13(5-3-12)15-7-6-11(8-15)9-16/h2-5,10-11,16H,6-9,14H2,1H3/t10-,11?/m0/s1
InChIKeyZRHDJJXJMCPHDB-VUWPPUDQSA-N
XLogP1.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
(1R)-1-[4-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]ethanamine
CID 78936816
[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
[(3S)-1-pyridin-4-ylpyrrolidin-3-yl]methanol
CID 129367724
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 78935368
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol (CID 103942779) is [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol is C[C@H](N)c1ccc(N2CCC(CO)C2)cc1.
What is the InChIKey of [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is ZRHDJJXJMCPHDB-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(14)12-2-4-13(5-3-12)15-7-6-11(8-15)9-16/h2-5,10-11,16H,6-9,14H2,1H3/t10-,11?/m0/s1.
What are the key properties of [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol?
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 103942779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).