1-(2,5-dimethylphenyl)-4-methylpentan-2-amine

C14H23N — CID 61482046

IUPAC1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
SMILESCc1ccc(C)c(CC(N)CC(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)7-14(15)9-13-8-11(3)5-6-12(13)4/h5-6,8,10,14H,7,9,15H2,1-4H3
InChIKeyLQYZFRAWPHUNFD-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.22
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine

1-(2,5-dimethylphenyl)-4-methylpentan-2-amine (PubChem CID 61482046) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
PubChem CID61482046
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
SMILESCc1ccc(C)c(CC(N)CC(C)C)c1
InChIInChI=1S/C14H23N/c1-10(2)7-14(15)9-13-8-11(3)5-6-12(13)4/h5-6,8,10,14H,7,9,15H2,1-4H3
InChIKeyLQYZFRAWPHUNFD-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-4-(2,5-dimethylphenyl)butanoic acid
CID 82351078
1-(3,4-difluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115802634
1-(2,5-dimethylphenyl)hex-5-yn-2-amine
CID 115859627
ethane;4-methyl-1-(4-methylphenyl)pentan-2-amine
CID 178163146
4-methyl-1-(3-methylphenyl)pentan-2-amine
CID 59323309
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
CID 83928161
1-(2,5-dimethylphenyl)-6,6-dimethylhept-4-yn-2-amine
CID 114190658
1-(5-bromo-2-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-amine
CID 115839839
1-(3,4-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 62899800
3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
CID 83154335
1-(2,5-dimethylphenyl)-4-(furan-2-yl)butan-2-amine
CID 55087006

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine (CID 61482046) is 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine is Cc1ccc(C)c(CC(N)CC(C)C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine?
The InChIKey is LQYZFRAWPHUNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)7-14(15)9-13-8-11(3)5-6-12(13)4/h5-6,8,10,14H,7,9,15H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine?
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 61482046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).