N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine

C17H19NO — CID 144986840

IUPACN-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine
SMILESCc1cccc(N(C)c2ccc3c(c2)OCCC3)c1
InChIInChI=1S/C17H19NO/c1-13-5-3-7-15(11-13)18(2)16-9-8-14-6-4-10-19-17(14)12-16/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyFTJGHUSQLLBYEP-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.09
Rot. Bonds2

About N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine

N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine (PubChem CID 144986840) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine
PubChem CID144986840
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine
SMILESCc1cccc(N(C)c2ccc3c(c2)OCCC3)c1
InChIInChI=1S/C17H19NO/c1-13-5-3-7-15(11-13)18(2)16-9-8-14-6-4-10-19-17(14)12-16/h3,5,7-9,11-12H,4,6,10H2,1-2H3
InChIKeyFTJGHUSQLLBYEP-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine?
The IUPAC name of N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine (CID 144986840) is N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine.
What is the SMILES notation for N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine?
The canonical SMILES for N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine is Cc1cccc(N(C)c2ccc3c(c2)OCCC3)c1.
What is the InChIKey of N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine?
The InChIKey is FTJGHUSQLLBYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-5-3-7-15(11-13)18(2)16-9-8-14-6-4-10-19-17(14)12-16/h3,5,7-9,11-12H,4,6,10H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine?
N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine has a molecular weight of 253.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-amine is sourced from PubChem (CID 144986840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).