4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine

C14H20BrN — CID 106844899

IUPAC4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
SMILESBrCCCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20BrN/c15-8-1-2-9-16-11-12-6-7-13-4-3-5-14(13)10-12/h6-7,10,16H,1-5,8-9,11H2
InChIKeyLFNATBNZVOEEGP-UHFFFAOYSA-N
MW282.23 g/mol
LogP3.44
Rot. Bonds6

About 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine

4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine (PubChem CID 106844899) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
PubChem CID106844899
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
SMILESBrCCCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C14H20BrN/c15-8-1-2-9-16-11-12-6-7-13-4-3-5-14(13)10-12/h6-7,10,16H,1-5,8-9,11H2
InChIKeyLFNATBNZVOEEGP-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
CID 115660114
N-[2-(2,3-dihydro-1H-inden-5-ylmethylamino)ethyl]cyclopropanecarboxamide
CID 115629535
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
4-[(4-bromobutylamino)methyl]phenol
CID 106844801
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,2,2-trifluoroethanamine
CID 60997427
5-bromo-N-[(3-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 107320319

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine (CID 106844899) is 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine is BrCCCCNCc1ccc2c(c1)CCC2.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine?
The InChIKey is LFNATBNZVOEEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c15-8-1-2-9-16-11-12-6-7-13-4-3-5-14(13)10-12/h6-7,10,16H,1-5,8-9,11H2.
What are the key properties of 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine?
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine has a molecular weight of 282.23 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine is sourced from PubChem (CID 106844899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).