(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine

C16H19NO — CID 153061504

IUPAC(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
SMILESCC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N
InChIInChI=1S/C16H19NO/c1-3-13-15-12-7-5-4-6-11(12)8-9-14(15)18-10-16(13,2)17/h4-9,13H,3,10,17H2,1-2H3/t13-,16+/m0/s1
InChIKeyVJNPMMDFGRNRMT-XJKSGUPXSA-N
MW241.33 g/mol
LogP3.44
Rot. Bonds1

About (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine

(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine (PubChem CID 153061504) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
PubChem CID153061504
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine
SMILESCC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N
InChIInChI=1S/C16H19NO/c1-3-13-15-12-7-5-4-6-11(12)8-9-14(15)18-10-16(13,2)17/h4-9,13H,3,10,17H2,1-2H3/t13-,16+/m0/s1
InChIKeyVJNPMMDFGRNRMT-XJKSGUPXSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine?
The IUPAC name of (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine (CID 153061504) is (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine.
What is the SMILES notation for (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine?
The canonical SMILES for (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine is CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N.
What is the InChIKey of (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine?
The InChIKey is VJNPMMDFGRNRMT-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-13-15-12-7-5-4-6-11(12)8-9-14(15)18-10-16(13,2)17/h4-9,13H,3,10,17H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine?
(1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-ethyl-2-methyl-1,3-dihydrobenzo[f]chromen-2-amine is sourced from PubChem (CID 153061504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).