4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine

C16H25BrN2O — CID 107573083

IUPAC4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
SMILESCCC1CC(CN)(Nc2cc(C)c(Br)c(C)c2)CCO1
InChIInChI=1S/C16H25BrN2O/c1-4-14-9-16(10-18,5-6-20-14)19-13-7-11(2)15(17)12(3)8-13/h7-8,14,19H,4-6,9-10,18H2,1-3H3
InChIKeyYBBFIZVJZLABPP-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.76
Rot. Bonds4

About 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine

4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine (PubChem CID 107573083) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
PubChem CID107573083
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
SMILESCCC1CC(CN)(Nc2cc(C)c(Br)c(C)c2)CCO1
InChIInChI=1S/C16H25BrN2O/c1-4-14-9-16(10-18,5-6-20-14)19-13-7-11(2)15(17)12(3)8-13/h7-8,14,19H,4-6,9-10,18H2,1-3H3
InChIKeyYBBFIZVJZLABPP-UHFFFAOYSA-N
XLogP3.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)oxan-4-amine
CID 107573137
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
CID 65376917
4-(aminomethyl)-N-benzyl-2-ethyloxan-4-amine
CID 65384007
N-[1-(aminomethyl)-2-ethylcyclopentyl]-4-bromo-3,5-dimethylaniline
CID 107573260
4-(aminomethyl)-2-ethyl-N-(2-methylprop-2-enyl)oxan-4-amine
CID 114616093
N-[1-(aminomethyl)-2-ethylcyclohexyl]-4-bromo-3,5-dimethylaniline
CID 107573250
N-[4-(aminomethyl)-2-ethyloxan-4-yl]piperidin-1-amine
CID 83012158

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine (CID 107573083) is 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine is CCC1CC(CN)(Nc2cc(C)c(Br)c(C)c2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine?
The InChIKey is YBBFIZVJZLABPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-14-9-16(10-18,5-6-20-14)19-13-7-11(2)15(17)12(3)8-13/h7-8,14,19H,4-6,9-10,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine?
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine has a molecular weight of 341.29 g/mol, XLogP of 3.76, 4 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)-2-ethyloxan-4-amine is sourced from PubChem (CID 107573083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).