1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine

C17H19BrN2 — CID 79741538

IUPAC1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(Cc1ccc(Br)cc1)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H19BrN2/c1-20(11-12-2-5-14(18)6-3-12)17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10,17H,4,9,11,19H2,1H3
InChIKeyAWGPEVOWOMUJFN-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.15
Rot. Bonds3

About 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine

1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 79741538) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID79741538
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine
SMILESCN(Cc1ccc(Br)cc1)C1CCc2cc(N)ccc21
InChIInChI=1S/C17H19BrN2/c1-20(11-12-2-5-14(18)6-3-12)17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10,17H,4,9,11,19H2,1H3
InChIKeyAWGPEVOWOMUJFN-UHFFFAOYSA-N
XLogP4.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine (CID 79741538) is 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is CN(Cc1ccc(Br)cc1)C1CCc2cc(N)ccc21.
What is the InChIKey of 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is AWGPEVOWOMUJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-20(11-12-2-5-14(18)6-3-12)17-9-4-13-10-15(19)7-8-16(13)17/h2-3,5-8,10,17H,4,9,11,19H2,1H3.
What are the key properties of 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 331.26 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-bromophenyl)methyl]-1-N-methyl-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 79741538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).