1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine

C14H23N — CID 43483759

IUPAC1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc(C)ccc1C)C(C)(C)C
InChIInChI=1S/C14H23N/c1-10-7-8-11(2)12(9-10)13(15-6)14(3,4)5/h7-9,13,15H,1-6H3
InChIKeyBHRJENFKJAZOAQ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.61
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine

1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 43483759) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
PubChem CID43483759
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(c1cc(C)ccc1C)C(C)(C)C
InChIInChI=1S/C14H23N/c1-10-7-8-11(2)12(9-10)13(15-6)14(3,4)5/h7-9,13,15H,1-6H3
InChIKeyBHRJENFKJAZOAQ-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-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-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 43483752
1-(2,5-dimethylphenyl)-2-methoxy-N,2-dimethylpropan-1-amine
CID 79198023
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949958
1-(2,5-dimethylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 43496106
1-(2-bromo-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854285
4-(2,5-dimethylphenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953536
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
N,2,2-trimethyl-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 66271629
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
1-(4-fluoro-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 62789845
1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43626719
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine (CID 43483759) is 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine is CNC(c1cc(C)ccc1C)C(C)(C)C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is BHRJENFKJAZOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10-7-8-11(2)12(9-10)13(15-6)14(3,4)5/h7-9,13,15H,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine?
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 43483759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).