2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

C17H18BrNO — CID 114712027

IUPAC2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(C)cc2Br)Oc2ccccc21
InChIInChI=1S/C17H18BrNO/c1-11-7-8-12(14(18)9-11)17-10-15(19-2)13-5-3-4-6-16(13)20-17/h3-9,15,17,19H,10H2,1-2H3
InChIKeyMVUXCZMTIJFWRP-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.54
Rot. Bonds2

About 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712027) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712027
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ccc(C)cc2Br)Oc2ccccc21
InChIInChI=1S/C17H18BrNO/c1-11-7-8-12(14(18)9-11)17-10-15(19-2)13-5-3-4-6-16(13)20-17/h3-9,15,17,19H,10H2,1-2H3
InChIKeyMVUXCZMTIJFWRP-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
2-(2-fluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712565
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(4,5-dibromothiophen-2-yl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 102846139
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
2-(2,4-difluorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712486
2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711947
2-(3-bromo-4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711935
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114712027) is 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ccc(C)cc2Br)Oc2ccccc21.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MVUXCZMTIJFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-7-8-12(14(18)9-11)17-10-15(19-2)13-5-3-4-6-16(13)20-17/h3-9,15,17,19H,10H2,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 332.24 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).