(3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine

C13H19NO — CID 153287572

IUPAC(3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine
SMILESCC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N
InChIInChI=1S/C13H19NO/c1-4-11-10-7-9(2)5-6-12(10)15-8-13(11,3)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1
InChIKeyDUGAXFUVLZBESY-WCQYABFASA-N
MW205.30 g/mol
LogP2.60
Rot. Bonds1

About (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine

(3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine (PubChem CID 153287572) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine
PubChem CID153287572
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine
SMILESCC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N
InChIInChI=1S/C13H19NO/c1-4-11-10-7-9(2)5-6-12(10)15-8-13(11,3)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1
InChIKeyDUGAXFUVLZBESY-WCQYABFASA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine?
The IUPAC name of (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine (CID 153287572) is (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine.
What is the SMILES notation for (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine?
The canonical SMILES for (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine is CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N.
What is the InChIKey of (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine?
The InChIKey is DUGAXFUVLZBESY-WCQYABFASA-N. The full InChI is InChI=1S/C13H19NO/c1-4-11-10-7-9(2)5-6-12(10)15-8-13(11,3)14/h5-7,11H,4,8,14H2,1-3H3/t11-,13+/m0/s1.
What are the key properties of (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine?
(3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine has a molecular weight of 205.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethyl-3,6-dimethyl-2,4-dihydrochromen-3-amine is sourced from PubChem (CID 153287572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).