N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide

C16H19BrN2O2 — CID 119107768

IUPACN-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC1=Cc2cc(Br)ccc2OC1)C1CC1
InChIInChI=1S/C16H19BrN2O2/c17-14-3-4-15-13(8-14)7-11(10-21-15)9-18-5-6-19-16(20)12-1-2-12/h3-4,7-8,12,18H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyXIGWEAZCWWXCHV-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.34
Rot. Bonds6

About N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 119107768) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID119107768
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC1=Cc2cc(Br)ccc2OC1)C1CC1
InChIInChI=1S/C16H19BrN2O2/c17-14-3-4-15-13(8-14)7-11(10-21-15)9-18-5-6-19-16(20)12-1-2-12/h3-4,7-8,12,18H,1-2,5-6,9-10H2,(H,19,20)
InChIKeyXIGWEAZCWWXCHV-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(6-bromo-2H-chromen-3-yl)methylamino]-N,N-diethylbutanamide
CID 119108054
2-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethoxy]ethanol
CID 119111866
N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine
CID 119108103
N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115598225
3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol
CID 110922646
N-[(6-bromo-2H-chromen-3-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 119107682
2-[(6-bromo-2H-chromen-3-yl)methyl-propylamino]acetic acid
CID 122039947
N-[2-[(2-chlorophenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 113218812
4-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 47098981
N-[2-(thiophen-2-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 75525535
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 32890239

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide (CID 119107768) is N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide is O=C(NCCNCC1=Cc2cc(Br)ccc2OC1)C1CC1.
What is the InChIKey of N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is XIGWEAZCWWXCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-14-3-4-15-13(8-14)7-11(10-21-15)9-18-5-6-19-16(20)12-1-2-12/h3-4,7-8,12,18H,1-2,5-6,9-10H2,(H,19,20).
What are the key properties of N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 351.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 119107768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).