[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine

C14H19BrN2O — CID 114397824

IUPAC[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(C2CCc3cc(Br)ccc32)CCO1
InChIInChI=1S/C14H19BrN2O/c15-11-2-3-13-10(7-11)1-4-14(13)17-5-6-18-12(8-16)9-17/h2-3,7,12,14H,1,4-6,8-9,16H2
InChIKeyFHFUTKKWPPLHRW-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.10
Rot. Bonds2

About [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine

[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine (PubChem CID 114397824) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine
PubChem CID114397824
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine
SMILESNCC1CN(C2CCc3cc(Br)ccc32)CCO1
InChIInChI=1S/C14H19BrN2O/c15-11-2-3-13-10(7-11)1-4-14(13)17-5-6-18-12(8-16)9-17/h2-3,7,12,14H,1,4-6,8-9,16H2
InChIKeyFHFUTKKWPPLHRW-UHFFFAOYSA-N
XLogP2.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine?
The IUPAC name of [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine (CID 114397824) is [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine?
The canonical SMILES for [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine is NCC1CN(C2CCc3cc(Br)ccc32)CCO1.
What is the InChIKey of [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine?
The InChIKey is FHFUTKKWPPLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-11-2-3-13-10(7-11)1-4-14(13)17-5-6-18-12(8-16)9-17/h2-3,7,12,14H,1,4-6,8-9,16H2.
What are the key properties of [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine?
[4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine has a molecular weight of 311.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 114397824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).