1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine

C14H23N — CID 115850536

IUPAC1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
SMILESCc1cccc(C(N)C(C)C(C)C)c1C
InChIInChI=1S/C14H23N/c1-9(2)11(4)14(15)13-8-6-7-10(3)12(13)5/h6-9,11,14H,15H2,1-5H3
InChIKeyPUBPZYFPMWMPEQ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.60
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine

1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine (PubChem CID 115850536) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
PubChem CID115850536
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine
SMILESCc1cccc(C(N)C(C)C(C)C)c1C
InChIInChI=1S/C14H23N/c1-9(2)11(4)14(15)13-8-6-7-10(3)12(13)5/h6-9,11,14H,15H2,1-5H3
InChIKeyPUBPZYFPMWMPEQ-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 131347710
(1R)-1-(2,3-dimethylphenyl)-2-methylbutan-1-amine
CID 130806142
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(1S,2R)-2-amino-1-cyclobutyl-2-(2,3-dimethylphenyl)ethanol
CID 171261811
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-[1-(2,3-dimethylphenyl)ethyl]propane-1,3-diamine
CID 83921996
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
2-methyl-1-(5-methylnaphthalen-1-yl)propan-1-amine
CID 130152612

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine (CID 115850536) is 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine is Cc1cccc(C(N)C(C)C(C)C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine?
The InChIKey is PUBPZYFPMWMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9(2)11(4)14(15)13-8-6-7-10(3)12(13)5/h6-9,11,14H,15H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine?
1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 115850536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).