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

C18H21NO — CID 114712242

IUPACN-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(C)cc2)Oc2ccccc21
InChIInChI=1S/C18H21NO/c1-3-19-16-12-18(14-10-8-13(2)9-11-14)20-17-7-5-4-6-15(16)17/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyLXKJIQQVRUPBTP-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.17
Rot. Bonds3

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

N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114712242) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114712242
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC NameN-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(c2ccc(C)cc2)Oc2ccccc21
InChIInChI=1S/C18H21NO/c1-3-19-16-12-18(14-10-8-13(2)9-11-14)20-17-7-5-4-6-15(16)17/h4-11,16,18-19H,3,12H2,1-2H3
InChIKeyLXKJIQQVRUPBTP-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712233
2-(2,3-dimethylphenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712172
2-(3-bromophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712293
N-ethyl-2-(2-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712724
2-(2,3-dichlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712236
N-ethyl-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114712166
N-ethyl-6-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114712742
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712260
7-bromo-N-ethyl-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114711759
6-bromo-N-ethyl-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713461
6-bromo-2-(4-chlorophenyl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114713398

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114712242) is N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(c2ccc(C)cc2)Oc2ccccc21.
What is the InChIKey of N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LXKJIQQVRUPBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-3-19-16-12-18(14-10-8-13(2)9-11-14)20-17-7-5-4-6-15(16)17/h4-11,16,18-19H,3,12H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 267.37 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114712242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).