N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

C18H26BrN3O — CID 119125045

IUPACN-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(CN1CCN(C)CC1)NCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C18H26BrN3O/c1-14(12-22-7-5-21(2)6-8-22)20-11-15-9-16-10-17(19)3-4-18(16)23-13-15/h3-4,9-10,14,20H,5-8,11-13H2,1-2H3
InChIKeyGTZSSWXEORGLDJ-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.45
Rot. Bonds5

About N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine

N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (PubChem CID 119125045) has the molecular formula C18H26BrN3O and a molecular weight of 380.33 g/mol. Its IUPAC name is N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
PubChem CID119125045
Molecular FormulaC18H26BrN3O
Molecular Weight380.33 g/mol
Exact Mass379.13
IUPAC NameN-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
SMILESCC(CN1CCN(C)CC1)NCC1=Cc2cc(Br)ccc2OC1
InChIInChI=1S/C18H26BrN3O/c1-14(12-22-7-5-21(2)6-8-22)20-11-15-9-16-10-17(19)3-4-18(16)23-13-15/h3-4,9-10,14,20H,5-8,11-13H2,1-2H3
InChIKeyGTZSSWXEORGLDJ-UHFFFAOYSA-N
XLogP2.45
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6,8-dichloro-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 119125033
3-[(6-bromo-2H-chromen-3-yl)methylamino]-4-methylpentan-1-ol
CID 111469167
3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol
CID 110922646
1-[(6-bromo-2H-chromen-3-yl)methylamino]propan-2-ol
CID 110922595
N-[(6-bromo-2H-chromen-3-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 119107757
N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine
CID 119108103
N-[(6-bromo-2H-chromen-3-yl)methyl]-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 119108038
1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 119107696
N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 119107682
N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 119107768
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 66391230
2-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethoxy]ethanol
CID 119111866

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The IUPAC name of N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine (CID 119125045) is N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is CC(CN1CCN(C)CC1)NCC1=Cc2cc(Br)ccc2OC1.
What is the InChIKey of N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
The InChIKey is GTZSSWXEORGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O/c1-14(12-22-7-5-21(2)6-8-22)20-11-15-9-16-10-17(19)3-4-18(16)23-13-15/h3-4,9-10,14,20H,5-8,11-13H2,1-2H3.
What are the key properties of N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine?
N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine has a molecular weight of 380.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2H-chromen-3-yl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 119125045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).