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

C12H17ClN2O — CID 62946520

IUPAC[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol
SMILESNCc1ccc(N2CCCC2CO)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-12-6-10(4-3-9(12)7-14)15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8,14H2
InChIKeySQHCBUVBRHCNQO-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.76
Rot. Bonds3

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

[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol (PubChem CID 62946520) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol
PubChem CID62946520
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol
SMILESNCc1ccc(N2CCCC2CO)cc1Cl
InChIInChI=1S/C12H17ClN2O/c13-12-6-10(4-3-9(12)7-14)15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8,14H2
InChIKeySQHCBUVBRHCNQO-UHFFFAOYSA-N
XLogP1.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol (CID 62946520) is [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol is NCc1ccc(N2CCCC2CO)cc1Cl.
What is the InChIKey of [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol?
The InChIKey is SQHCBUVBRHCNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-12-6-10(4-3-9(12)7-14)15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8,14H2.
What are the key properties of [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol?
[1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol has a molecular weight of 240.73 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62946520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).