1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine

C18H20BrNO — CID 105034368

IUPAC1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESCc1cc(C(N)CC2CCOc3ccccc32)ccc1Br
InChIInChI=1S/C18H20BrNO/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,10,13,17H,8-9,11,20H2,1H3
InChIKeyRZBSEIIEVUBZCQ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.71
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine

1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine (PubChem CID 105034368) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
PubChem CID105034368
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
SMILESCc1cc(C(N)CC2CCOc3ccccc32)ccc1Br
InChIInChI=1S/C18H20BrNO/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,10,13,17H,8-9,11,20H2,1H3
InChIKeyRZBSEIIEVUBZCQ-UHFFFAOYSA-N
XLogP4.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 104770573
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-ethylphenyl)ethanamine
CID 104770116
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 105034258
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanone
CID 115798746
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105034323
1-(2,5-dibromothiophen-3-yl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 107969001
1-(2-chloro-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 105034300
1-(5-bromo-2-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 115831877
2-(3,4-dihydro-2H-chromen-4-yl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105179822
1-(4-aminophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 106695578
[1-(3-bromophenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethyl]hydrazine
CID 105198169
2-(3,4-dihydro-2H-chromen-4-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 104769984

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine (CID 105034368) is 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine is Cc1cc(C(N)CC2CCOc3ccccc32)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
The InChIKey is RZBSEIIEVUBZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-12-10-14(6-7-16(12)19)17(20)11-13-8-9-21-18-5-3-2-4-15(13)18/h2-7,10,13,17H,8-9,11,20H2,1H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine?
1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine has a molecular weight of 346.27 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-2-(3,4-dihydro-2H-chromen-4-yl)ethanamine is sourced from PubChem (CID 105034368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).