1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol

C11H15ClN2O — CID 18672299

IUPAC1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol
SMILESNCc1cc(Cl)ccc1CN1CC(O)C1
InChIInChI=1S/C11H15ClN2O/c12-10-2-1-8(9(3-10)4-13)5-14-6-11(15)7-14/h1-3,11,15H,4-7,13H2
InChIKeyHDKOGVZQOOAKQR-UHFFFAOYSA-N
MW226.71 g/mol
LogP0.98
Rot. Bonds3

About 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol

1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol (PubChem CID 18672299) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol
PubChem CID18672299
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol
SMILESNCc1cc(Cl)ccc1CN1CC(O)C1
InChIInChI=1S/C11H15ClN2O/c12-10-2-1-8(9(3-10)4-13)5-14-6-11(15)7-14/h1-3,11,15H,4-7,13H2
InChIKeyHDKOGVZQOOAKQR-UHFFFAOYSA-N
XLogP0.98
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)phenyl]methyl]azetidin-3-ol
CID 131137641
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868
1-[(5-amino-2-chlorophenyl)methyl]azetidin-3-ol
CID 68627657
1-[(4-chloro-2-pyridinyl)methyl]azetidin-3-ol
CID 79245723
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
1-[(5-chloro-2-fluorophenyl)methyl]azetidin-3-amine
CID 114857925
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199
4-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79582573
5-chloro-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]aniline
CID 79187911
8-[2-(aminomethyl)-5-chlorophenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763222
1-[(2,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65317178
[1-[(2-bromo-4-chlorophenyl)methyl]azetidin-3-yl]methanol
CID 104931669

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol?
The IUPAC name of 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol (CID 18672299) is 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol?
The canonical SMILES for 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol is NCc1cc(Cl)ccc1CN1CC(O)C1.
What is the InChIKey of 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol?
The InChIKey is HDKOGVZQOOAKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-2-1-8(9(3-10)4-13)5-14-6-11(15)7-14/h1-3,11,15H,4-7,13H2.
What are the key properties of 1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol?
1-[[2-(aminomethyl)-4-chlorophenyl]methyl]azetidin-3-ol has a molecular weight of 226.71 g/mol, XLogP of 0.98, 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]methyl]azetidin-3-ol is sourced from PubChem (CID 18672299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).