(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

C17H18BrNO2 — CID 105049286

IUPAC(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H18BrNO2/c1-20-15-10-12(18)7-8-13(15)16(19)14-6-2-4-11-5-3-9-21-17(11)14/h2,4,6-8,10,16H,3,5,9,19H2,1H3
InChIKeyBJWKHPQXFDTNHQ-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.83
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine

(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (PubChem CID 105049286) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
PubChem CID105049286
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1cccc2c1OCCC2
InChIInChI=1S/C17H18BrNO2/c1-20-15-10-12(18)7-8-13(15)16(19)14-6-2-4-11-5-3-9-21-17(11)14/h2,4,6-8,10,16H,3,5,9,19H2,1H3
InChIKeyBJWKHPQXFDTNHQ-UHFFFAOYSA-N
XLogP3.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114744841
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
(5-bromothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105187279
2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115368857
(2,5-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745341
(2,5-dichlorothiophen-3-yl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 107969236
(4-bromo-3-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049185
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
(4-bromo-2-methoxyphenyl)-(2-cyclobutylphenyl)methanamine
CID 105052432

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine (CID 105049286) is (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is COc1cc(Br)ccc1C(N)c1cccc2c1OCCC2.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
The InChIKey is BJWKHPQXFDTNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-20-15-10-12(18)7-8-13(15)16(19)14-6-2-4-11-5-3-9-21-17(11)14/h2,4,6-8,10,16H,3,5,9,19H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine?
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine has a molecular weight of 348.24 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine is sourced from PubChem (CID 105049286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).