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

C14H21ClN2O — CID 102663114

IUPAC2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
SMILESNCc1ccc(CN2CCC(CCO)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c15-14-7-12(8-16)1-2-13(14)10-17-5-3-11(9-17)4-6-18/h1-2,7,11,18H,3-6,8-10,16H2
InChIKeyOLYNNNYHOLVESS-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.00
Rot. Bonds5

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

2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 102663114) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID102663114
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol
SMILESNCc1ccc(CN2CCC(CCO)C2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O/c15-14-7-12(8-16)1-2-13(14)10-17-5-3-11(9-17)4-6-18/h1-2,7,11,18H,3-6,8-10,16H2
InChIKeyOLYNNNYHOLVESS-UHFFFAOYSA-N
XLogP2.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 102666368
2-[1-[[4-(aminomethyl)-2-methylphenyl]methyl]piperidin-3-yl]ethanol
CID 107227286
[1-[[4-(aminomethyl)-2-methylphenyl]methyl]pyrrolidin-3-yl]methanol
CID 114478921
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
2-[1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]ethanol
CID 114797239
2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[3-chloro-4-[(2-methylthiomorpholin-4-yl)methyl]phenyl]methanamine
CID 102663098
[3-chloro-4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 102662930
[3-chloro-4-[(4-cyclopentylpiperazin-1-yl)methyl]phenyl]methanamine
CID 102662919
3-(2-chloroethyl)-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidine
CID 106869928
1-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanol
CID 114797226

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol (CID 102663114) is 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol is NCc1ccc(CN2CCC(CCO)C2)c(Cl)c1.
What is the InChIKey of 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is OLYNNNYHOLVESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c15-14-7-12(8-16)1-2-13(14)10-17-5-3-11(9-17)4-6-18/h1-2,7,11,18H,3-6,8-10,16H2.
What are the key properties of 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol?
2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 268.79 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(aminomethyl)-2-chlorophenyl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 102663114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).