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

C15H22BrNO — CID 113336458

IUPAC4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOCCCCCNC1CCc2c(Br)cccc21
InChIInChI=1S/C15H22BrNO/c1-18-11-4-2-3-10-17-15-9-8-12-13(15)6-5-7-14(12)16/h5-7,15,17H,2-4,8-11H2,1H3
InChIKeyKACANENBKDQZET-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.84
Rot. Bonds7

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

4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 113336458) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID113336458
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOCCCCCNC1CCc2c(Br)cccc21
InChIInChI=1S/C15H22BrNO/c1-18-11-4-2-3-10-17-15-9-8-12-13(15)6-5-7-14(12)16/h5-7,15,17H,2-4,8-11H2,1H3
InChIKeyKACANENBKDQZET-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 103910257
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
CID 104647071
4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123661
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113374920
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123653
5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 97109946

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine (CID 113336458) is 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine is COCCCCCNC1CCc2c(Br)cccc21.
What is the InChIKey of 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KACANENBKDQZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-18-11-4-2-3-10-17-15-9-8-12-13(15)6-5-7-14(12)16/h5-7,15,17H,2-4,8-11H2,1H3.
What are the key properties of 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 312.25 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113336458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).