2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine

C18H20BrNO — CID 114744945

IUPAC2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C18H20BrNO/c1-20-17(12-13-7-9-15(19)10-8-13)16-6-2-4-14-5-3-11-21-18(14)16/h2,4,6-10,17,20H,3,5,11-12H2,1H3
InChIKeyMNHZMNRDSVQZAL-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine

2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine (PubChem CID 114744945) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
PubChem CID114744945
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc2c1OCCC2
InChIInChI=1S/C18H20BrNO/c1-20-17(12-13-7-9-15(19)10-8-13)16-6-2-4-14-5-3-11-21-18(14)16/h2,4,6-10,17,20H,3,5,11-12H2,1H3
InChIKeyMNHZMNRDSVQZAL-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114745237
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
[1-(3,4-dihydro-2H-chromen-8-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198432
1-(3,4-dihydro-2H-chromen-8-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547239
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
[1-(3,4-dihydro-2H-chromen-8-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212546
N-[(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methyl]ethanamine
CID 114744924
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylpropan-1-amine
CID 105049036
(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine (CID 114744945) is 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cccc2c1OCCC2.
What is the InChIKey of 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine?
The InChIKey is MNHZMNRDSVQZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-20-17(12-13-7-9-15(19)10-8-13)16-6-2-4-14-5-3-11-21-18(14)16/h2,4,6-10,17,20H,3,5,11-12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine?
2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine has a molecular weight of 346.27 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine is sourced from PubChem (CID 114744945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).