N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine

C16H22BrNO — CID 103911458

IUPACN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NC2CCc3c(Br)cccc32)CCO1
InChIInChI=1S/C16H22BrNO/c1-16(2)10-11(8-9-19-16)18-15-7-6-12-13(15)4-3-5-14(12)17/h3-5,11,15,18H,6-10H2,1-2H3
InChIKeyLBHPTTNJUDCSDP-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.98
Rot. Bonds2

About N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine (PubChem CID 103911458) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine
PubChem CID103911458
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine
SMILESCC1(C)CC(NC2CCc3c(Br)cccc32)CCO1
InChIInChI=1S/C16H22BrNO/c1-16(2)10-11(8-9-19-16)18-15-7-6-12-13(15)4-3-5-14(12)17/h3-5,11,15,18H,6-10H2,1-2H3
InChIKeyLBHPTTNJUDCSDP-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
CID 103901793
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
CID 115763577
1-[(2,2-diethyloxan-4-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 83035861
N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
CID 107598228
4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846495
4-bromo-N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103846471
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine
CID 83035402
N-(4-chloro-2,3-dihydro-1H-inden-1-yl)oxolan-3-amine
CID 115714285
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645
8-bromo-N-(2,2-dimethyloxan-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 83028332
6-bromo-N-(2,2-dimethyloxan-4-yl)pyridine-2-carboxamide
CID 103890092

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine (CID 103911458) is N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine is CC1(C)CC(NC2CCc3c(Br)cccc32)CCO1.
What is the InChIKey of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine?
The InChIKey is LBHPTTNJUDCSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-16(2)10-11(8-9-19-16)18-15-7-6-12-13(15)4-3-5-14(12)17/h3-5,11,15,18H,6-10H2,1-2H3.
What are the key properties of N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine?
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine has a molecular weight of 324.26 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 103911458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).