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

C15H22N2O — CID 83096056

IUPAC[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
SMILESNCC1COCCN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O/c16-9-15-11-18-7-6-17(15)10-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,15H,1-3,6-7,9-11,16H2
InChIKeyVTPVTLBCPXCSBB-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.33
Rot. Bonds3

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

[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine (PubChem CID 83096056) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
PubChem CID83096056
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine
SMILESNCC1COCCN1Cc1ccc2c(c1)CCC2
InChIInChI=1S/C15H22N2O/c16-9-15-11-18-7-6-17(15)10-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,15H,1-3,6-7,9-11,16H2
InChIKeyVTPVTLBCPXCSBB-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine?
The IUPAC name of [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine (CID 83096056) is [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine.
What is the SMILES notation for [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine?
The canonical SMILES for [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine is NCC1COCCN1Cc1ccc2c(c1)CCC2.
What is the InChIKey of [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine?
The InChIKey is VTPVTLBCPXCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-9-15-11-18-7-6-17(15)10-12-4-5-13-2-1-3-14(13)8-12/h4-5,8,15H,1-3,6-7,9-11,16H2.
What are the key properties of [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine?
[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]methanamine is sourced from PubChem (CID 83096056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).