N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine

C12H16Br2N2O2 — CID 83010027

IUPACN-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine
SMILESCOc1c(Br)cc(CNN2CCOCC2)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-17-12-10(13)6-9(7-11(12)14)8-15-16-2-4-18-5-3-16/h6-7,15H,2-5,8H2,1H3
InChIKeyCXWQWEQQHAPVIW-UHFFFAOYSA-N
MW380.08 g/mol
LogP2.56
Rot. Bonds4

About N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine

N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine (PubChem CID 83010027) has the molecular formula C12H16Br2N2O2 and a molecular weight of 380.08 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine
PubChem CID83010027
Molecular FormulaC12H16Br2N2O2
Molecular Weight380.08 g/mol
Exact Mass377.96
IUPAC NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine
SMILESCOc1c(Br)cc(CNN2CCOCC2)cc1Br
InChIInChI=1S/C12H16Br2N2O2/c1-17-12-10(13)6-9(7-11(12)14)8-15-16-2-4-18-5-3-16/h6-7,15H,2-5,8H2,1H3
InChIKeyCXWQWEQQHAPVIW-UHFFFAOYSA-N
XLogP2.56
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
CID 83011668
N-[(3-bromo-4-chlorophenyl)methyl]morpholin-4-amine
CID 83230853
N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine
CID 83009516
4-[[(3,5-dibromo-4-methoxyphenyl)methylamino]methyl]oxan-4-ol
CID 78928832
2-methoxy-4-[(morpholin-4-ylamino)methyl]phenol
CID 83010018
2-bromo-6-methoxy-4-[(piperidin-1-ylamino)methyl]phenol
CID 83007367
1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43768522
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
CID 43612748
1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
CID 82709759
N-[(4-iodophenyl)methyl]morpholin-4-amine
CID 83022461
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63454431
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855920

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine?
The IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine (CID 83010027) is N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine is COc1c(Br)cc(CNN2CCOCC2)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine?
The InChIKey is CXWQWEQQHAPVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2/c1-17-12-10(13)6-9(7-11(12)14)8-15-16-2-4-18-5-3-16/h6-7,15H,2-5,8H2,1H3.
What are the key properties of N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine?
N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine has a molecular weight of 380.08 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-methoxyphenyl)methyl]morpholin-4-amine is sourced from PubChem (CID 83010027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).