1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol

C10H13ClN2O — CID 68627657

IUPAC1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol
SMILESNc1ccc(Cl)c(CN2CC(O)C2)c1
InChIInChI=1S/C10H13ClN2O/c11-10-2-1-8(12)3-7(10)4-13-5-9(14)6-13/h1-3,9,14H,4-6,12H2
InChIKeyIDSWHOMMNMEUNO-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.10
Rot. Bonds2

About 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol

1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol (PubChem CID 68627657) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol
PubChem CID68627657
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol
SMILESNc1ccc(Cl)c(CN2CC(O)C2)c1
InChIInChI=1S/C10H13ClN2O/c11-10-2-1-8(12)3-7(10)4-13-5-9(14)6-13/h1-3,9,14H,4-6,12H2
InChIKeyIDSWHOMMNMEUNO-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.10
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

4-chloro-3-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 43169075
1-[(4-amino-2-chlorophenyl)methyl]pyrrolidine-3,4-diol
CID 106667970
1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 63171749
1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol
CID 18672299
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777868
3-[(4-butan-2-ylpiperazin-1-yl)methyl]-4-chloroaniline
CID 62774579
1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
CID 62941685
1-[(6S)-4-[(2-chloro-5-fluorophenyl)methyl]-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 97118625
1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
CID 131137641
1-[(2,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65317178
1-[(5-amino-2-chlorophenyl)methyl]-4-tert-butylpyrrolidin-2-one
CID 104510943

Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol?
The IUPAC name of 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol (CID 68627657) is 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol.
What is the SMILES notation for 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol?
The canonical SMILES for 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol is Nc1ccc(Cl)c(CN2CC(O)C2)c1.
What is the InChIKey of 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol?
The InChIKey is IDSWHOMMNMEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-10-2-1-8(12)3-7(10)4-13-5-9(14)6-13/h1-3,9,14H,4-6,12H2.
What are the key properties of 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol?
1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol has a molecular weight of 212.68 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 68627657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).