[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine

C11H14Cl2N2O — CID 116944995

IUPAC[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
SMILESNCC1(C(N)c2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C11H14Cl2N2O/c12-7-1-2-8(9(13)3-7)10(15)11(4-14)5-16-6-11/h1-3,10H,4-6,14-15H2
InChIKeyWHGPTZBTBYQWRF-UHFFFAOYSA-N
MW261.15 g/mol
LogP1.97
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine (PubChem CID 116944995) has the molecular formula C11H14Cl2N2O and a molecular weight of 261.15 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
PubChem CID116944995
Molecular FormulaC11H14Cl2N2O
Molecular Weight261.15 g/mol
Exact Mass260.05
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
SMILESNCC1(C(N)c2ccc(Cl)cc2Cl)COC1
InChIInChI=1S/C11H14Cl2N2O/c12-7-1-2-8(9(13)3-7)10(15)11(4-14)5-16-6-11/h1-3,10H,4-6,14-15H2
InChIKeyWHGPTZBTBYQWRF-UHFFFAOYSA-N
XLogP1.97
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-dichlorophenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943597
1-[amino-(2,4-dichlorophenyl)methyl]cyclopropan-1-amine
CID 116947104
(2,4-dichlorophenyl)-(1-methylcyclopropyl)methanamine
CID 130517016
[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
CID 79135535
[3-(aminomethyl)oxetan-3-yl]-(1-benzofuran-3-yl)methanamine
CID 116945009
(1R)-1-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(R)-(2,4-dichlorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171250540
[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116944912

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine (CID 116944995) is [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine is NCC1(C(N)c2ccc(Cl)cc2Cl)COC1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine?
The InChIKey is WHGPTZBTBYQWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O/c12-7-1-2-8(9(13)3-7)10(15)11(4-14)5-16-6-11/h1-3,10H,4-6,14-15H2.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine has a molecular weight of 261.15 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 116944995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).