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

C13H21N — CID 175188525

IUPAC1-(2,3-diethylphenyl)propan-2-amine
SMILESCCc1cccc(CC(C)N)c1CC
InChIInChI=1S/C13H21N/c1-4-11-7-6-8-12(9-10(3)14)13(11)5-2/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyUJRAOAIYFSUJPQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.70
Rot. Bonds4

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

1-(2,3-diethylphenyl)propan-2-amine (PubChem CID 175188525) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(2,3-diethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-diethylphenyl)propan-2-amine
PubChem CID175188525
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(2,3-diethylphenyl)propan-2-amine
SMILESCCc1cccc(CC(C)N)c1CC
InChIInChI=1S/C13H21N/c1-4-11-7-6-8-12(9-10(3)14)13(11)5-2/h6-8,10H,4-5,9,14H2,1-3H3
InChIKeyUJRAOAIYFSUJPQ-UHFFFAOYSA-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

(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
2-(2-aminopropyl)-6-ethylphenol
CID 83875214
1-(2,3-diethylphenyl)ethanamine
CID 130066606
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
2-[(2R)-2-aminopropyl]-6-methylaniline
CID 130618077
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
[3-(2-aminopropyl)-2-methoxyphenyl]methanol
CID 117285472
CID 66774589
CID 66774589
CID 67436949
CID 67436949
1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824
[2-[(2S)-2-aminopropyl]phenyl]methanol
CID 130643067

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylphenyl)propan-2-amine?
The IUPAC name of 1-(2,3-diethylphenyl)propan-2-amine (CID 175188525) is 1-(2,3-diethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-diethylphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-diethylphenyl)propan-2-amine is CCc1cccc(CC(C)N)c1CC.
What is the InChIKey of 1-(2,3-diethylphenyl)propan-2-amine?
The InChIKey is UJRAOAIYFSUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-11-7-6-8-12(9-10(3)14)13(11)5-2/h6-8,10H,4-5,9,14H2,1-3H3.
What are the key properties of 1-(2,3-diethylphenyl)propan-2-amine?
1-(2,3-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 1-(2,3-diethylphenyl)propan-2-amine is sourced from PubChem (CID 175188525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).