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

C12H17ClN2O — CID 61407185

IUPAC[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1cc(CN2CCCC2CO)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(15)8-16/h3-4,6,10,16H,1-2,5,7-8,14H2
InChIKeyMOWPGCGGSFIZEU-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.88
Rot. Bonds3

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

[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 61407185) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID61407185
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1cc(CN2CCCC2CO)ccc1Cl
InChIInChI=1S/C12H17ClN2O/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(15)8-16/h3-4,6,10,16H,1-2,5,7-8,14H2
InChIKeyMOWPGCGGSFIZEU-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 61406900
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137
[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
[1-[(4-amino-3-nitrophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62207713
[1-[(4-chloro-3-nitrophenyl)methyl]piperidin-2-yl]methanol
CID 61406447
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
[1-[(4-chloro-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116634418
[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294

Frequently Asked Questions

What is the IUPAC name of [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 61407185) is [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is Nc1cc(CN2CCCC2CO)ccc1Cl.
What is the InChIKey of [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is MOWPGCGGSFIZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(15)8-16/h3-4,6,10,16H,1-2,5,7-8,14H2.
What are the key properties of [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 240.73 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61407185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).