N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine

C10H15NO — CID 89378200

IUPACN-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine
SMILESCNC1CCOC2=CC=CCC21
InChIInChI=1S/C10H15NO/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-3,5,8-9,11H,4,6-7H2,1H3
InChIKeyLXRWBJCEVFFBEG-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.45
Rot. Bonds1

About N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine

N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine (PubChem CID 89378200) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine
PubChem CID89378200
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine
SMILESCNC1CCOC2=CC=CCC21
InChIInChI=1S/C10H15NO/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-3,5,8-9,11H,4,6-7H2,1H3
InChIKeyLXRWBJCEVFFBEG-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine (CID 89378200) is N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine is CNC1CCOC2=CC=CCC21.
What is the InChIKey of N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine?
The InChIKey is LXRWBJCEVFFBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h2-3,5,8-9,11H,4,6-7H2,1H3.
What are the key properties of N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine?
N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine has a molecular weight of 165.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,4,4a,5-tetrahydro-2H-chromen-4-amine is sourced from PubChem (CID 89378200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).