(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine

C11H14BrN — CID 84728034

IUPAC(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
SMILESCC1(CN)CCc2c(Br)cccc21
InChIInChI=1S/C11H14BrN/c1-11(7-13)6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-7,13H2,1H3
InChIKeyHSRVRMJZYIQBBZ-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.61
Rot. Bonds1

About (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine

(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine (PubChem CID 84728034) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
PubChem CID84728034
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
SMILESCC1(CN)CCc2c(Br)cccc21
InChIInChI=1S/C11H14BrN/c1-11(7-13)6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-7,13H2,1H3
InChIKeyHSRVRMJZYIQBBZ-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84728033
(8-bromo-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanamine
CID 84729237
(1'R,3R)-7-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;hydrobromide
CID 129284856
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
2-(5-bromo-1,1-dimethyl-3,4-dihydro-2H-naphthalen-2-yl)acetic acid
CID 115057405
methyl 4-bromo-1-fluoro-2,3-dihydroindene-1-carboxylate
CID 102098459
(6-fluoro-1-methyl-2,3-dihydroinden-1-yl)methanamine
CID 84718266
9-bromo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84729232
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
5-bromospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-amine
CID 115057137
(5,9-dimethyl-3,4-dihydro-2H-1-benzoxepin-5-yl)methanamine
CID 82241430

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
The IUPAC name of (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine (CID 84728034) is (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine.
What is the SMILES notation for (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
The canonical SMILES for (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine is CC1(CN)CCc2c(Br)cccc21.
What is the InChIKey of (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
The InChIKey is HSRVRMJZYIQBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-11(7-13)6-5-8-9(11)3-2-4-10(8)12/h2-4H,5-7,13H2,1H3.
What are the key properties of (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine?
(4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine has a molecular weight of 240.14 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methyl-2,3-dihydroinden-1-yl)methanamine is sourced from PubChem (CID 84728034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).