1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine

C19H20BrNO3 — CID 119107696

IUPAC1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2=Cc3cc(Br)ccc3OC2)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-22-18-5-3-13(8-19(18)23-2)10-21-11-14-7-15-9-16(20)4-6-17(15)24-12-14/h3-9,21H,10-12H2,1-2H3
InChIKeyGWBTZHVWXSOSIN-UHFFFAOYSA-N
MW390.28 g/mol
LogP4.03
Rot. Bonds6

About 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine

1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine (PubChem CID 119107696) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine
PubChem CID119107696
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine
SMILESCOc1ccc(CNCC2=Cc3cc(Br)ccc3OC2)cc1OC
InChIInChI=1S/C19H20BrNO3/c1-22-18-5-3-13(8-19(18)23-2)10-21-11-14-7-15-9-16(20)4-6-17(15)24-12-14/h3-9,21H,10-12H2,1-2H3
InChIKeyGWBTZHVWXSOSIN-UHFFFAOYSA-N
XLogP4.03
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromo-2H-chromen-3-yl)methyl]-2-ethoxyethanamine
CID 119108103
3-[(6-bromo-2H-chromen-3-yl)methylamino]-2-methylpropan-1-ol
CID 110922646
N-[(6-bromo-2H-chromen-3-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 119107757
N-[2-[(6-bromo-2H-chromen-3-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 119107768
4-[(6-bromo-2H-chromen-3-yl)methylamino]-N,N-diethylbutanamide
CID 119108054
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[(3-bromo-5-fluorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 112731993
N-[(3-bromo-4-chlorophenyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine
CID 83232246
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 43683051
1-(3-bromophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]methanamine
CID 61400837
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine (CID 119107696) is 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine is COc1ccc(CNCC2=Cc3cc(Br)ccc3OC2)cc1OC.
What is the InChIKey of 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
The InChIKey is GWBTZHVWXSOSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-22-18-5-3-13(8-19(18)23-2)10-21-11-14-7-15-9-16(20)4-6-17(15)24-12-14/h3-9,21H,10-12H2,1-2H3.
What are the key properties of 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine?
1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine has a molecular weight of 390.28 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2H-chromen-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 119107696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).