N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine

C13H19BrN2O2 — CID 115238006

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
SMILESCOc1ccc(Br)cc1CNCC1COCCN1
InChIInChI=1S/C13H19BrN2O2/c1-17-13-3-2-11(14)6-10(13)7-15-8-12-9-18-5-4-16-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3
InChIKeyIEVREMBSCOLKCY-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.54
Rot. Bonds5

About N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine

N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine (PubChem CID 115238006) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
PubChem CID115238006
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
SMILESCOc1ccc(Br)cc1CNCC1COCCN1
InChIInChI=1S/C13H19BrN2O2/c1-17-13-3-2-11(14)6-10(13)7-15-8-12-9-18-5-4-16-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3
InChIKeyIEVREMBSCOLKCY-UHFFFAOYSA-N
XLogP1.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
N-[(5-bromo-2-methoxyphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211100
3-ethyl-4-methoxy-N-(morpholin-3-ylmethyl)aniline
CID 115237844
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238028
N-[(5-bromo-2-methoxyphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916214
N-[(2-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238972
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238057
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
N-[(5-bromo-2-methoxyphenyl)methyl]oxan-3-amine
CID 63360472
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine (CID 115238006) is N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine is COc1ccc(Br)cc1CNCC1COCCN1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine?
The InChIKey is IEVREMBSCOLKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-17-13-3-2-11(14)6-10(13)7-15-8-12-9-18-5-4-16-12/h2-3,6,12,15-16H,4-5,7-9H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine has a molecular weight of 315.21 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine is sourced from PubChem (CID 115238006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).