(2R)-1-(3,4-diethylphenyl)propan-2-amine

C13H21N — CID 139743643

IUPAC(2R)-1-(3,4-diethylphenyl)propan-2-amine
SMILESCCc1ccc(C[C@@H](C)N)cc1CC
InChIInChI=1S/C13H21N/c1-4-12-7-6-11(8-10(3)14)9-13(12)5-2/h6-7,9-10H,4-5,8,14H2,1-3H3/t10-/m1/s1
InChIKeyONRODIQUFYNVNJ-SNVBAGLBSA-N
MW191.32 g/mol
LogP2.70
Rot. Bonds4

About (2R)-1-(3,4-diethylphenyl)propan-2-amine

(2R)-1-(3,4-diethylphenyl)propan-2-amine (PubChem CID 139743643) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2R)-1-(3,4-diethylphenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3,4-diethylphenyl)propan-2-amine
PubChem CID139743643
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2R)-1-(3,4-diethylphenyl)propan-2-amine
SMILESCCc1ccc(C[C@@H](C)N)cc1CC
InChIInChI=1S/C13H21N/c1-4-12-7-6-11(8-10(3)14)9-13(12)5-2/h6-7,9-10H,4-5,8,14H2,1-3H3/t10-/m1/s1
InChIKeyONRODIQUFYNVNJ-SNVBAGLBSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
1,2-diethyl-4-propylbenzene
CID 54363919
2-[(3,4-diethylphenyl)methyl]pentanal
CID 90943842
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
CID 105411150
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-amine
CID 117299172
4-[(3,4-diethylphenyl)methoxymethyl]-1,2-diethylbenzene
CID 57139112
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-diethylphenyl)propan-2-amine?
The IUPAC name of (2R)-1-(3,4-diethylphenyl)propan-2-amine (CID 139743643) is (2R)-1-(3,4-diethylphenyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(3,4-diethylphenyl)propan-2-amine?
The canonical SMILES for (2R)-1-(3,4-diethylphenyl)propan-2-amine is CCc1ccc(C[C@@H](C)N)cc1CC.
What is the InChIKey of (2R)-1-(3,4-diethylphenyl)propan-2-amine?
The InChIKey is ONRODIQUFYNVNJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N/c1-4-12-7-6-11(8-10(3)14)9-13(12)5-2/h6-7,9-10H,4-5,8,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-(3,4-diethylphenyl)propan-2-amine?
(2R)-1-(3,4-diethylphenyl)propan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-diethylphenyl)propan-2-amine is sourced from PubChem (CID 139743643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).