N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine

C15H18N2O — CID 79101117

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCOc2ccccc21
InChIInChI=1S/C15H18N2O/c1-11-7-8-12(2)17(11)16-14-9-10-18-15-6-4-3-5-13(14)15/h3-8,14,16H,9-10H2,1-2H3
InChIKeyLDDKFDNYNIHFNW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.17
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine

N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine (PubChem CID 79101117) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
PubChem CID79101117
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
SMILESCc1ccc(C)n1NC1CCOc2ccccc21
InChIInChI=1S/C15H18N2O/c1-11-7-8-12(2)17(11)16-14-9-10-18-15-6-4-3-5-13(14)15/h3-8,14,16H,9-10H2,1-2H3
InChIKeyLDDKFDNYNIHFNW-UHFFFAOYSA-N
XLogP3.17
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
CID 156742889
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
N-propan-2-yloxy-3,4-dihydro-2H-chromen-4-amine
CID 91322782
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-(4-bromo-3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107571684

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine (CID 79101117) is N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine is Cc1ccc(C)n1NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
The InChIKey is LDDKFDNYNIHFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-7-8-12(2)17(11)16-14-9-10-18-15-6-4-3-5-13(14)15/h3-8,14,16H,9-10H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine has a molecular weight of 242.32 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine is sourced from PubChem (CID 79101117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).