1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine

C16H17BrN2 — CID 80649698

IUPAC1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1cccc2c1NCC2
InChIInChI=1S/C16H17BrN2/c17-15-7-2-1-4-13(15)10-18-11-14-6-3-5-12-8-9-19-16(12)14/h1-7,18-19H,8-11H2
InChIKeyWLJOWFAFNFVKGI-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.71
Rot. Bonds4

About 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine

1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine (PubChem CID 80649698) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
PubChem CID80649698
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
SMILESBrc1ccccc1CNCc1cccc2c1NCC2
InChIInChI=1S/C16H17BrN2/c17-15-7-2-1-4-13(15)10-18-11-14-6-3-5-12-8-9-19-16(12)14/h1-7,18-19H,8-11H2
InChIKeyWLJOWFAFNFVKGI-UHFFFAOYSA-N
XLogP3.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-phenylmethanamine
CID 80649878
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)-2-methylaniline
CID 107630131
3-bromo-N-(2,3-dihydro-1H-indol-7-ylmethyl)aniline
CID 80650469
1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80648411
4-(2,3-dihydro-1H-indol-7-ylmethylamino)butan-1-ol
CID 106840914
1-(2,3-dihydro-1H-indol-7-yl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 80649049
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338
[1-[(2,3-dihydro-1H-indol-7-ylmethylamino)methyl]cyclopropyl]methanol
CID 113313189
1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 80649847
N-(2,3-dihydro-1H-indol-7-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 80650079
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053
N-(2,3-dihydro-1H-indol-7-ylmethyl)-3-methylsulfanylpropan-1-amine
CID 80650038

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine (CID 80649698) is 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine is Brc1ccccc1CNCc1cccc2c1NCC2.
What is the InChIKey of 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
The InChIKey is WLJOWFAFNFVKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-15-7-2-1-4-13(15)10-18-11-14-6-3-5-12-8-9-19-16(12)14/h1-7,18-19H,8-11H2.
What are the key properties of 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine?
1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine has a molecular weight of 317.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine is sourced from PubChem (CID 80649698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).