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

C18H21NO — CID 134791910

IUPACN-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CN(C)C2CCOc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-14-7-9-15(10-8-14)13-19(2)17-11-12-20-18-6-4-3-5-16(17)18/h3-10,17H,11-13H2,1-2H3
InChIKeyLAGOCIUSLJWDHV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.95
Rot. Bonds3

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

N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 134791910) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID134791910
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(CN(C)C2CCOc3ccccc32)cc1
InChIInChI=1S/C18H21NO/c1-14-7-9-15(10-8-14)13-19(2)17-11-12-20-18-6-4-3-5-16(17)18/h3-10,17H,11-13H2,1-2H3
InChIKeyLAGOCIUSLJWDHV-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 134793852
N-(cyclohexylmethyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 134794851
N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-fluorophenyl)-N-methylacetamide
CID 110751168
N-methyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106623158
N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
CID 110751242
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-(3,4-dihydro-2H-chromen-4-yl)-2-(4-methylphenyl)propan-2-amine
CID 104769663
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
3-[(4-aminophenyl)methyl-methylamino]oxolan-2-one
CID 43458265
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
CID 61017517

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine (CID 134791910) is N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(CN(C)C2CCOc3ccccc32)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LAGOCIUSLJWDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-7-9-15(10-8-14)13-19(2)17-11-12-20-18-6-4-3-5-16(17)18/h3-10,17H,11-13H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine?
N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 267.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 134791910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).