(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene

C14H20 — CID 97103179

IUPAC(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC[C@]1(C)CC[C@@H](C)c2ccccc21
InChIInChI=1S/C14H20/c1-4-14(3)10-9-11(2)12-7-5-6-8-13(12)14/h5-8,11H,4,9-10H2,1-3H3/t11-,14-/m1/s1
InChIKeyDQPSSYYYXPGNBJ-BXUZGUMPSA-N
MW188.31 g/mol
LogP4.25
Rot. Bonds1

About (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene

(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 97103179) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID97103179
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC[C@]1(C)CC[C@@H](C)c2ccccc21
InChIInChI=1S/C14H20/c1-4-14(3)10-9-11(2)12-7-5-6-8-13(12)14/h5-8,11H,4,9-10H2,1-3H3/t11-,14-/m1/s1
InChIKeyDQPSSYYYXPGNBJ-BXUZGUMPSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene with MolForge

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

Launch Full Analysis

Related Compounds

1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419755
1-[1-(ethylamino)ethyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419705
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-methylspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]-2',5'-dione
CID 113306025
2-[1-(dimethylamino)-4-methyl-3,4-dihydro-2H-naphthalen-1-yl]acetic acid
CID 115420429
1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419809
N-[(1-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl)methyl]propan-1-amine
CID 115420243
1-(2,6-difluorophenyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419622
1-(3-ethylcyclohexyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419750

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 97103179) is (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene is CC[C@]1(C)CC[C@@H](C)c2ccccc21.
What is the InChIKey of (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is DQPSSYYYXPGNBJ-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H20/c1-4-14(3)10-9-11(2)12-7-5-6-8-13(12)14/h5-8,11H,4,9-10H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene?
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 188.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 97103179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).