N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine

C12H17BrN2O2 — CID 83009516

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine
SMILESCOc1ccc(Br)cc1CNN1CCOCC1
InChIInChI=1S/C12H17BrN2O2/c1-16-12-3-2-11(13)8-10(12)9-14-15-4-6-17-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyUPFWRFQDBVGULH-UHFFFAOYSA-N
MW301.18 g/mol
LogP1.79
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine

N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine (PubChem CID 83009516) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine
PubChem CID83009516
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine
SMILESCOc1ccc(Br)cc1CNN1CCOCC1
InChIInChI=1S/C12H17BrN2O2/c1-16-12-3-2-11(13)8-10(12)9-14-15-4-6-17-7-5-15/h2-3,8,14H,4-7,9H2,1H3
InChIKeyUPFWRFQDBVGULH-UHFFFAOYSA-N
XLogP1.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(5-bromo-2-methoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 2039329
2-methoxy-4-[(morpholin-4-ylamino)methyl]phenol
CID 83010018
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 134029103
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-methylmethanediamine
CID 115226819
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
N-[(3,5-dimethoxyphenyl)methyl]morpholin-4-amine
CID 83011668
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine (CID 83009516) is N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine is COc1ccc(Br)cc1CNN1CCOCC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine?
The InChIKey is UPFWRFQDBVGULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-16-12-3-2-11(13)8-10(12)9-14-15-4-6-17-7-5-15/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine has a molecular weight of 301.18 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]morpholin-4-amine is sourced from PubChem (CID 83009516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).