N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

C16H25BrN2O2 — CID 83101094

IUPACN-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H25BrN2O2/c1-3-6-18-10-15-12-21-8-7-19(15)11-13-9-14(17)4-5-16(13)20-2/h4-5,9,15,18H,3,6-8,10-12H2,1-2H3
InChIKeyMNTLPOAIAXKUEN-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.66
Rot. Bonds7

About N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine

N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83101094) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID83101094
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC NameN-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cc(Br)ccc1OC
InChIInChI=1S/C16H25BrN2O2/c1-3-6-18-10-15-12-21-8-7-19(15)11-13-9-14(17)4-5-16(13)20-2/h4-5,9,15,18H,3,6-8,10-12H2,1-2H3
InChIKeyMNTLPOAIAXKUEN-UHFFFAOYSA-N
XLogP2.66
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-[[4-[(2,6-dichlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100086
N-[[4-(thiophen-2-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100890
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
1-[(5-bromo-2-methoxyphenyl)methyl]-2-(bromomethyl)pyrrolidine
CID 80668876
1-[3-[(3-ethylmorpholin-4-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860565
N-[[4-[(2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100679
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100255
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
N-[(5-bromo-2-methoxyphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238006
N-[[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83102031

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine (CID 83101094) is N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1Cc1cc(Br)ccc1OC.
What is the InChIKey of N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is MNTLPOAIAXKUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-3-6-18-10-15-12-21-8-7-19(15)11-13-9-14(17)4-5-16(13)20-2/h4-5,9,15,18H,3,6-8,10-12H2,1-2H3.
What are the key properties of N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 357.29 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-bromo-2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83101094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).