(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C17H18BrNO — CID 115368857

IUPAC(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18BrNO/c1-20-16-10-14(18)7-8-15(16)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17H,2-4,19H2,1H3
InChIKeyQZBFZLSQQJYDOW-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.99
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 115368857) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID115368857
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H18BrNO/c1-20-16-10-14(18)7-8-15(16)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17H,2-4,19H2,1H3
InChIKeyQZBFZLSQQJYDOW-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 115369816
(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
(5-bromo-2-ethoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43311398
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130164
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
(4-bromo-2-methoxyphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 105049286
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
6-[bromo-(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439446

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 115368857) is (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is COc1cc(Br)ccc1C(N)c1ccc2c(c1)CCC2.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is QZBFZLSQQJYDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-20-16-10-14(18)7-8-15(16)17(19)13-6-5-11-3-2-4-12(11)9-13/h5-10,17H,2-4,19H2,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 332.24 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 115368857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).