1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

C16H17BrN2 — CID 79741671

IUPAC1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10,18H2
InChIKeyFQQVFYIWAKJXPT-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.81
Rot. Bonds3

About 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741671) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741671
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10,18H2
InChIKeyFQQVFYIWAKJXPT-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
1-N-[(3,4-difluorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741947
[4-[[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 107230271
1-N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741691
1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 61401434
1-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79737247
1-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79742052
1-N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740841
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-[(3-methylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681870
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 79741671) is 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCc1cccc(Br)c1.
What is the InChIKey of 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is FQQVFYIWAKJXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-13-3-1-2-11(8-13)10-19-16-7-4-12-9-14(18)5-6-15(12)16/h1-3,5-6,8-9,16,19H,4,7,10,18H2.
What are the key properties of 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 317.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).