N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine

C20H19NO — CID 146020912

IUPACN-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine
SMILESCc1ccc(NC2CCc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C20H19NO/c1-14-6-9-16(10-7-14)21-20-13-11-18-17-5-3-2-4-15(17)8-12-19(18)22-20/h2-10,12,20-21H,11,13H2,1H3
InChIKeyQSNNQQIMODHAOZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.91
Rot. Bonds2

About N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine

N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine (PubChem CID 146020912) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine
PubChem CID146020912
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC NameN-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine
SMILESCc1ccc(NC2CCc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C20H19NO/c1-14-6-9-16(10-7-14)21-20-13-11-18-17-5-3-2-4-15(17)8-12-19(18)22-20/h2-10,12,20-21H,11,13H2,1H3
InChIKeyQSNNQQIMODHAOZ-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,3-dihydro-1H-benzo[f]chromen-3-yl)-5-methyl-1H-imidazole
CID 70413946
6,7-dimethyl-N-naphthalen-1-yl-3,4-dihydro-2H-chromen-2-amine
CID 146020944
2-(2,3-dihydro-1H-benzo[f]chromen-3-yl)benzoic acid
CID 56687022
1,2-dihydrobenzo[e][1]benzofuran;hydrate
CID 118007569
2-benzyl-1,2-dihydrobenzo[e][1]benzofuran
CID 13432982
ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 91388045
phenanthrene;toluene
CID 158347700
2-methyl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride
CID 141017293
1,2-dihydrobenzo[g][1,2,3]benzotrioxepine
CID 166086128
(2R)-1,2-dihydrobenzo[e][1]benzofuran-2-carbohydrazide
CID 6933934
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
N-(4-methylphenyl)phenanthren-4-amine
CID 122607190

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine?
The IUPAC name of N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine (CID 146020912) is N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine.
What is the SMILES notation for N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine?
The canonical SMILES for N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine is Cc1ccc(NC2CCc3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine?
The InChIKey is QSNNQQIMODHAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-14-6-9-16(10-7-14)21-20-13-11-18-17-5-3-2-4-15(17)8-12-19(18)22-20/h2-10,12,20-21H,11,13H2,1H3.
What are the key properties of N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine?
N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine has a molecular weight of 289.38 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,3-dihydro-1H-benzo[f]chromen-3-amine is sourced from PubChem (CID 146020912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).