4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine

C16H27N — CID 64664141

IUPAC4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1ccc(C)c(CCC(C)CNC(C)C)c1
InChIInChI=1S/C16H27N/c1-12(2)17-11-14(4)7-9-16-10-13(3)6-8-15(16)5/h6,8,10,12,14,17H,7,9,11H2,1-5H3
InChIKeyHUTSWFFGJHCFAO-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.87
Rot. Bonds6

About 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine

4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 64664141) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID64664141
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCc1ccc(C)c(CCC(C)CNC(C)C)c1
InChIInChI=1S/C16H27N/c1-12(2)17-11-14(4)7-9-16-10-13(3)6-8-15(16)5/h6,8,10,12,14,17H,7,9,11H2,1-5H3
InChIKeyHUTSWFFGJHCFAO-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,5-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 65304462
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
N-[2-(2,5-dimethylphenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202717
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
N-[2-(2,5-dimethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158292
1-(2,5-dimethylphenyl)pentan-3-amine
CID 61481640
4-(2-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665424
4-(5-fluoro-2-methylphenyl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 105375543
1-(2,5-dimethylphenyl)hexane-3,4-diol
CID 83928188

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 64664141) is 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine is Cc1ccc(C)c(CCC(C)CNC(C)C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is HUTSWFFGJHCFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12(2)17-11-14(4)7-9-16-10-13(3)6-8-15(16)5/h6,8,10,12,14,17H,7,9,11H2,1-5H3.
What are the key properties of 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64664141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).