(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine

C16H19NO — CID 146709966

IUPAC(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine
SMILESCC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N
InChIInChI=1S/C16H19NO/c1-3-14-13-9-8-11-6-4-5-7-12(11)15(13)18-10-16(14,2)17/h4-9,14H,3,10,17H2,1-2H3/t14-,16+/m0/s1
InChIKeyRBHBTBBWGMVKHC-GOEBONIOSA-N
MW241.33 g/mol
LogP3.44
Rot. Bonds1

About (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine

(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine (PubChem CID 146709966) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine
PubChem CID146709966
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine
SMILESCC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N
InChIInChI=1S/C16H19NO/c1-3-14-13-9-8-11-6-4-5-7-12(11)15(13)18-10-16(14,2)17/h4-9,14H,3,10,17H2,1-2H3/t14-,16+/m0/s1
InChIKeyRBHBTBBWGMVKHC-GOEBONIOSA-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

Analyze (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine?
The IUPAC name of (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine (CID 146709966) is (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine.
What is the SMILES notation for (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine?
The canonical SMILES for (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine is CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N.
What is the InChIKey of (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine?
The InChIKey is RBHBTBBWGMVKHC-GOEBONIOSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-14-13-9-8-11-6-4-5-7-12(11)15(13)18-10-16(14,2)17/h4-9,14H,3,10,17H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine?
(3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-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 (3S,4S)-4-ethyl-3-methyl-2,4-dihydrobenzo[h]chromen-3-amine is sourced from PubChem (CID 146709966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).