1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine

C21H21NO — CID 138714590

IUPAC1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESc1ccc2c(c1)CCC(CNCc1cccc3ccccc13)O2
InChIInChI=1S/C21H21NO/c1-3-10-20-16(6-1)8-5-9-18(20)14-22-15-19-13-12-17-7-2-4-11-21(17)23-19/h1-11,19,22H,12-15H2
InChIKeyKGPSCZMODFHXOQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.32
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine

1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 138714590) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID138714590
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESc1ccc2c(c1)CCC(CNCc1cccc3ccccc13)O2
InChIInChI=1S/C21H21NO/c1-3-10-20-16(6-1)8-5-9-18(20)14-22-15-19-13-12-17-7-2-4-11-21(17)23-19/h1-11,19,22H,12-15H2
InChIKeyKGPSCZMODFHXOQ-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 164884131
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50948436
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 57099977
1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
CID 6918388
N-(naphthalen-1-ylmethyl)-1-piperidin-2-ylmethanamine
CID 106633869
N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
(2R)-2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 10378389
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
bis(N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine);hydrate;tetrahydrochloride
CID 67711682

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine (CID 138714590) is 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine is c1ccc2c(c1)CCC(CNCc1cccc3ccccc13)O2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is KGPSCZMODFHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-3-10-20-16(6-1)8-5-9-18(20)14-22-15-19-13-12-17-7-2-4-11-21(17)23-19/h1-11,19,22H,12-15H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine?
1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 303.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-2-yl)-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 138714590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).