(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C16H16BrN — CID 43115600

IUPAC(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1ccccc1Br
InChIInChI=1S/C16H16BrN/c17-15-7-2-1-6-14(15)16(18)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5,18H2
InChIKeyAXICJDCVGGOZSE-UHFFFAOYSA-N
MW302.21 g/mol
LogP3.99
Rot. Bonds2

About (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 43115600) has the molecular formula C16H16BrN and a molecular weight of 302.21 g/mol. Its IUPAC name is (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID43115600
Molecular FormulaC16H16BrN
Molecular Weight302.21 g/mol
Exact Mass301.05
IUPAC Name(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1ccccc1Br
InChIInChI=1S/C16H16BrN/c17-15-7-2-1-6-14(15)16(18)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5,18H2
InChIKeyAXICJDCVGGOZSE-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43097516
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 43115595
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115368857
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
(3-bromo-5-chloro-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43101952
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
[(3-bromo-2-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 114195253

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 43115600) is (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is NC(c1ccc2c(c1)CCC2)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is AXICJDCVGGOZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN/c17-15-7-2-1-6-14(15)16(18)13-9-8-11-4-3-5-12(11)10-13/h1-2,6-10,16H,3-5,18H2.
What are the key properties of (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 302.21 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 43115600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).