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

C12H17ClN2O — CID 112624254

IUPAC[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
SMILESNCc1cc(Cl)ccc1N1CCC(CO)C1
InChIInChI=1S/C12H17ClN2O/c13-11-1-2-12(10(5-11)6-14)15-4-3-9(7-15)8-16/h1-2,5,9,16H,3-4,6-8,14H2
InChIKeyNEZYFDKOSQUSNG-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.62
Rot. Bonds3

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

[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol (PubChem CID 112624254) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
PubChem CID112624254
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol
SMILESNCc1cc(Cl)ccc1N1CCC(CO)C1
InChIInChI=1S/C12H17ClN2O/c13-11-1-2-12(10(5-11)6-14)15-4-3-9(7-15)8-16/h1-2,5,9,16H,3-4,6-8,14H2
InChIKeyNEZYFDKOSQUSNG-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(aminomethyl)-5-chlorophenyl]piperidin-3-yl]methanol
CID 63082651
[5-chloro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63171616
[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 106585917
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methanol
CID 64863673
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
[1-[4-(1-aminoethyl)-2-chlorophenyl]pyrrolidin-3-yl]methanol
CID 112625974
N-[[5-chloro-2-(3-propylpyrrolidin-1-yl)phenyl]methyl]ethanamine
CID 114853511
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
2-[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028465

Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol (CID 112624254) is [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol is NCc1cc(Cl)ccc1N1CCC(CO)C1.
What is the InChIKey of [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol?
The InChIKey is NEZYFDKOSQUSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-1-2-12(10(5-11)6-14)15-4-3-9(7-15)8-16/h1-2,5,9,16H,3-4,6-8,14H2.
What are the key properties of [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol?
[1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol has a molecular weight of 240.73 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).