4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine

C14H21BrN2O — CID 107573137

IUPAC4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
SMILESCc1cc(NC2(CN)CCOCC2)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O/c1-10-7-12(8-11(2)13(10)15)17-14(9-16)3-5-18-6-4-14/h7-8,17H,3-6,9,16H2,1-2H3
InChIKeyBVYJRWZXIZUFSP-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.99
Rot. Bonds3

About 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine

4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine (PubChem CID 107573137) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
PubChem CID107573137
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
SMILESCc1cc(NC2(CN)CCOCC2)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O/c1-10-7-12(8-11(2)13(10)15)17-14(9-16)3-5-18-6-4-14/h7-8,17H,3-6,9,16H2,1-2H3
InChIKeyBVYJRWZXIZUFSP-UHFFFAOYSA-N
XLogP2.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxane-4-carboxamide
CID 107574152
4-(aminomethyl)-N-(4-fluorophenyl)oxan-4-amine
CID 65376671
3-[[4-(aminomethyl)oxan-4-yl]amino]phenol
CID 105479234
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574
4-(aminomethyl)-N-(5-methoxy-2-methylphenyl)oxan-4-amine
CID 114252667
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)oxan-4-amine
CID 114839044
N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
CID 106298028
4-(aminomethyl)-N-(3-bromo-5-methylphenyl)thian-4-amine
CID 107582925
4-(aminomethyl)-N-[4-(trifluoromethyl)phenyl]oxan-4-amine
CID 106298388

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine (CID 107573137) is 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine is Cc1cc(NC2(CN)CCOCC2)cc(C)c1Br.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine?
The InChIKey is BVYJRWZXIZUFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10-7-12(8-11(2)13(10)15)17-14(9-16)3-5-18-6-4-14/h7-8,17H,3-6,9,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine?
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine has a molecular weight of 313.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine is sourced from PubChem (CID 107573137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).