(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine

C13H21NO — CID 93007407

IUPAC(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
SMILESCCOc1ccc(CC[C@@H](C)NC)cc1
InChIInChI=1S/C13H21NO/c1-4-15-13-9-7-12(8-10-13)6-5-11(2)14-3/h7-11,14H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyRCYGEEAPZLJPGZ-LLVKDONJSA-N
MW207.32 g/mol
LogP2.63
Rot. Bonds6

About (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine

(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine (PubChem CID 93007407) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
PubChem CID93007407
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
SMILESCCOc1ccc(CC[C@@H](C)NC)cc1
InChIInChI=1S/C13H21NO/c1-4-15-13-9-7-12(8-10-13)6-5-11(2)14-3/h7-11,14H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyRCYGEEAPZLJPGZ-LLVKDONJSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine 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

4-(4-ethoxyphenyl)-N-ethylbutan-2-amine
CID 43279773
N-methyl-4-[4-(2,2,2-trifluoroethoxymethoxy)phenyl]butan-2-amine
CID 106704557
N-methyl-4-[4-(2-propylsulfonylethoxy)phenyl]butan-2-amine
CID 106722068
4-[4-(cyclopropylmethoxymethoxy)phenyl]-N-methylbutan-2-amine
CID 106929163
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
CID 43279744
(2R)-4-(4-fluorophenyl)-N-methylbutan-2-amine
CID 42077676
N-[(4-ethoxyphenyl)methyl]-4-methylpentan-1-amine
CID 60744254
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
N-tert-butyl-5-(4-ethoxyphenyl)-3-methylpentan-1-amine
CID 65304878
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731
N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202111
4-(4-butoxyphenyl)-N-propan-2-ylbutan-2-amine;hydrochloride
CID 19885187

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine (CID 93007407) is (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine is CCOc1ccc(CC[C@@H](C)NC)cc1.
What is the InChIKey of (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is RCYGEEAPZLJPGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-15-13-9-7-12(8-10-13)6-5-11(2)14-3/h7-11,14H,4-6H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine?
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 93007407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).