N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C18H21NO2 — CID 43765168

IUPACN-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc(NC2CCOc3ccc(OC)cc32)c1
InChIInChI=1S/C18H21NO2/c1-3-13-5-4-6-14(11-13)19-17-9-10-21-18-8-7-15(20-2)12-16(17)18/h4-8,11-12,17,19H,3,9-10H2,1-2H3
InChIKeyYACOYWMLZJNYMI-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.19
Rot. Bonds4

About N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine

N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43765168) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID43765168
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1cccc(NC2CCOc3ccc(OC)cc32)c1
InChIInChI=1S/C18H21NO2/c1-3-13-5-4-6-14(11-13)19-17-9-10-21-18-8-7-15(20-2)12-16(17)18/h4-8,11-12,17,19H,3,9-10H2,1-2H3
InChIKeyYACOYWMLZJNYMI-UHFFFAOYSA-N
XLogP4.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]phenyl]methanol
CID 43784761
3-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]benzonitrile
CID 43762546
N-(3-ethylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79232093
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
N-(2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43763115
6-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 103904001
6-methoxy-N-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-4-amine
CID 103522678
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
N-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43693706
(2R)-1-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]propan-2-ol
CID 113349398

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 43765168) is N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is CCc1cccc(NC2CCOc3ccc(OC)cc32)c1.
What is the InChIKey of N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YACOYWMLZJNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-3-13-5-4-6-14(11-13)19-17-9-10-21-18-8-7-15(20-2)12-16(17)18/h4-8,11-12,17,19H,3,9-10H2,1-2H3.
What are the key properties of N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 283.37 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43765168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).