3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine

C15H22BrClN2O — CID 107619476

IUPAC3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(CN)(Nc2ccc(Br)c(Cl)c2)C(C)(C)O1
InChIInChI=1S/C15H22BrClN2O/c1-13(2)8-15(9-18,14(3,4)20-13)19-10-5-6-11(16)12(17)7-10/h5-7,19H,8-9,18H2,1-4H3
InChIKeyXXWLTANTHYQEHG-UHFFFAOYSA-N
MW361.71 g/mol
LogP4.19
Rot. Bonds3

About 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine

3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 107619476) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID107619476
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCC1(C)CC(CN)(Nc2ccc(Br)c(Cl)c2)C(C)(C)O1
InChIInChI=1S/C15H22BrClN2O/c1-13(2)8-15(9-18,14(3,4)20-13)19-10-5-6-11(16)12(17)7-10/h5-7,19H,8-9,18H2,1-4H3
InChIKeyXXWLTANTHYQEHG-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine
CID 79927060
3-(aminomethyl)-N-(2-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79927307
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
CID 107619534
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
N-[1-(aminomethyl)-2,4,4-trimethylcyclohexyl]-4-bromo-3-chloroaniline
CID 107619544
3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)thiolan-3-amine
CID 107619641
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-1,2-dimethylpiperidin-4-amine
CID 107619601
[3-(3-fluoroanilino)-2,2,5,5-tetramethyloxolan-3-yl]methanol
CID 79928702
N-(4-bromo-3-chlorophenyl)-4-ethylpiperidine-4-carboxamide
CID 107620276
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
CID 104721832
N-(4-bromo-3-chlorophenyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 107619094
4-bromo-3-chloro-N-(2-methylpropyl)aniline
CID 83326794

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 107619476) is 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine is CC1(C)CC(CN)(Nc2ccc(Br)c(Cl)c2)C(C)(C)O1.
What is the InChIKey of 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is XXWLTANTHYQEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-13(2)8-15(9-18,14(3,4)20-13)19-10-5-6-11(16)12(17)7-10/h5-7,19H,8-9,18H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine?
3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 361.71 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 107619476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).