2-ethyl-1-(3-ethylphenyl)butan-1-amine

C14H23N — CID 105018813

IUPAC2-ethyl-1-(3-ethylphenyl)butan-1-amine
SMILESCCc1cccc(C(N)C(CC)CC)c1
InChIInChI=1S/C14H23N/c1-4-11-8-7-9-13(10-11)14(15)12(5-2)6-3/h7-10,12,14H,4-6,15H2,1-3H3
InChIKeyLFUAKZWAJUCTGJ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.68
Rot. Bonds5

About 2-ethyl-1-(3-ethylphenyl)butan-1-amine

2-ethyl-1-(3-ethylphenyl)butan-1-amine (PubChem CID 105018813) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-ethyl-1-(3-ethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-ethylphenyl)butan-1-amine
PubChem CID105018813
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-ethyl-1-(3-ethylphenyl)butan-1-amine
SMILESCCc1cccc(C(N)C(CC)CC)c1
InChIInChI=1S/C14H23N/c1-4-11-8-7-9-13(10-11)14(15)12(5-2)6-3/h7-10,12,14H,4-6,15H2,1-3H3
InChIKeyLFUAKZWAJUCTGJ-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylphenyl)-2,3-dimethylbutan-1-amine
CID 105018856
(1R)-1-(3-ethylphenyl)ethanamine
CID 55277637
1-butan-2-yl-3-ethylbenzene
CID 528681
(R)-cyclopropyl-(3-ethylphenyl)methanamine
CID 55277646
(S)-cyclopropyl-(3-ethylphenyl)methanamine
CID 131196510
1-ethyl-3-(1-phenylpropan-2-yl)benzene
CID 91139007
(1R)-1-(3-ethylphenyl)but-3-en-1-amine
CID 55294318
1-(3-bromophenyl)-2-ethylpropane-1,3-diamine
CID 116945535
1-(3-ethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 105018666
(2,5-dimethylphenyl)-(3-ethylphenyl)methanamine
CID 105018566
4-benzylhexan-3-amine
CID 79307662
2-(3-ethylphenyl)-4-methylpentan-1-amine
CID 166737218

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-ethylphenyl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(3-ethylphenyl)butan-1-amine (CID 105018813) is 2-ethyl-1-(3-ethylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-ethylphenyl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-ethylphenyl)butan-1-amine is CCc1cccc(C(N)C(CC)CC)c1.
What is the InChIKey of 2-ethyl-1-(3-ethylphenyl)butan-1-amine?
The InChIKey is LFUAKZWAJUCTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-11-8-7-9-13(10-11)14(15)12(5-2)6-3/h7-10,12,14H,4-6,15H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-ethylphenyl)butan-1-amine?
2-ethyl-1-(3-ethylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-ethylphenyl)butan-1-amine is sourced from PubChem (CID 105018813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).