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

C17H19NO — CID 172780354

IUPACN-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(-c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H19NO/c1-12-3-5-13(6-4-12)14-7-8-15-16(18-2)9-10-19-17(15)11-14/h3-8,11,16,18H,9-10H2,1-2H3
InChIKeyOECNQQPIPYYFTD-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.71
Rot. Bonds2

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

N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 172780354) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID172780354
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CCOc2cc(-c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H19NO/c1-12-3-5-13(6-4-12)14-7-8-15-16(18-2)9-10-19-17(15)11-14/h3-8,11,16,18H,9-10H2,1-2H3
InChIKeyOECNQQPIPYYFTD-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 118597841
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
6,7-difluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130952274
6-chloro-N,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461683
7-fluoro-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 107170028
N-methyl-7-thiophen-2-ylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 172719708
7-bromo-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130820671
N,7-dimethyl-1,3,4,5-tetrahydro-2-benzoxepin-5-amine
CID 134221166
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
8-methyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 79983235
7-chloro-N-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 81481829

Frequently Asked Questions

What is the IUPAC name of N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 172780354) is N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is CNC1CCOc2cc(-c3ccc(C)cc3)ccc21.
What is the InChIKey of N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OECNQQPIPYYFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-3-5-13(6-4-12)14-7-8-15-16(18-2)9-10-19-17(15)11-14/h3-8,11,16,18H,9-10H2,1-2H3.
What are the key properties of N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 253.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 172780354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).