[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol

C13H19ClN2O — CID 112625974

IUPAC[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
SMILESCC(N)c1ccc(N2CCC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(15)11-2-3-13(12(14)6-11)16-5-4-10(7-16)8-17/h2-3,6,9-10,17H,4-5,7-8,15H2,1H3
InChIKeyVLVFYYBVLWJSLY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.18
Rot. Bonds3

About [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol

[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol (PubChem CID 112625974) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
PubChem CID112625974
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
SMILESCC(N)c1ccc(N2CCC(CO)C2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-9(15)11-2-3-13(12(14)6-11)16-5-4-10(7-16)8-17/h2-3,6,9-10,17H,4-5,7-8,15H2,1H3
InChIKeyVLVFYYBVLWJSLY-UHFFFAOYSA-N
XLogP2.18
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(1-aminoethyl)-2-chlorophenyl]piperidin-4-yl]methanol
CID 55132072
1-[3-chloro-4-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 55132087
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779
[4-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]morpholin-2-yl]methanol
CID 81204298
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]piperidin-4-yl]methanol
CID 78936152
[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 64863673
1-[3-chloro-4-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanamine
CID 79188821
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]piperidine-3-carboxamide
CID 78936080
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol (CID 112625974) is [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol is CC(N)c1ccc(N2CCC(CO)C2)c(Cl)c1.
What is the InChIKey of [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol?
The InChIKey is VLVFYYBVLWJSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(15)11-2-3-13(12(14)6-11)16-5-4-10(7-16)8-17/h2-3,6,9-10,17H,4-5,7-8,15H2,1H3.
What are the key properties of [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol?
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol has a molecular weight of 254.76 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112625974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).