3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine

C14H23N — CID 137390997

IUPAC3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine
SMILESCc1ccc(C(C)C(C)N(C)C)c(C)c1
InChIInChI=1S/C14H23N/c1-10-7-8-14(11(2)9-10)12(3)13(4)15(5)6/h7-9,12-13H,1-6H3
InChIKeyINASQALYOWCNIF-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.36
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine

3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine (PubChem CID 137390997) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine
PubChem CID137390997
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine
SMILESCc1ccc(C(C)C(C)N(C)C)c(C)c1
InChIInChI=1S/C14H23N/c1-10-7-8-14(11(2)9-10)12(3)13(4)15(5)6/h7-9,12-13H,1-6H3
InChIKeyINASQALYOWCNIF-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-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

1-[3-(2,4-dimethylphenyl)butan-2-yl]-2,4-dimethylbenzene;ethane
CID 91220313
1-(2,4-dimethylphenyl)-N,N-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 116913495
3-(dimethylamino)-3-(2,4-dimethylphenyl)propane-1-thiol
CID 116908922
2,4-dimethyl-1-(3-methylhept-4-yn-2-yl)benzene
CID 83928049
2-(2,4-dimethylphenyl)-2-hydroxy-N,N-dimethylacetamide
CID 82126531
2,4-dimethyl-1-[1-(2-methylphenyl)ethyl]benzene
CID 54473191
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
2,4-dimethyl-1-(1-nitrosoethyl)benzene
CID 91440985
N'-[1-(2,4-dimethylphenyl)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79646619
N-[1-(2,4-dimethylphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 16776740
4-[1-chloro-1-(2,4-dimethylphenyl)propan-2-yl]pyridine
CID 66459967

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine (CID 137390997) is 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine is Cc1ccc(C(C)C(C)N(C)C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine?
The InChIKey is INASQALYOWCNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10-7-8-14(11(2)9-10)12(3)13(4)15(5)6/h7-9,12-13H,1-6H3.
What are the key properties of 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine?
3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 137390997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).