N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine

C16H27N — CID 63449366

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C16H27N/c1-7-16(11(2)3)17-14(6)15-9-8-12(4)10-13(15)5/h8-11,14,16-17H,7H2,1-6H3
InChIKeyOSESWSXWYFLRLS-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.39
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine

N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 63449366) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine
PubChem CID63449366
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1ccc(C)cc1C)C(C)C
InChIInChI=1S/C16H27N/c1-7-16(11(2)3)17-14(6)15-9-8-12(4)10-13(15)5/h8-11,14,16-17H,7H2,1-6H3
InChIKeyOSESWSXWYFLRLS-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dimethylphenyl)ethyl]-3-methylpentan-2-amine
CID 63448845
2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
N-[1-(2,4-dimethylphenyl)ethyl]hex-5-yn-3-amine
CID 113262096
4-[1-[1-(2,4-dimethylphenyl)ethylamino]propyl]phenol
CID 60944426
3-[1-(2,4-dimethylphenyl)ethylamino]butan-1-ol
CID 81339355
2-[1-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]-5-methylphenol
CID 79253947
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
(1S)-N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylethanamine
CID 81350273
N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685413
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]hydroxylamine
CID 130067534
N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720327
1-(2,4-dimethylphenyl)-N-[1-(5-ethylthiophen-2-yl)ethyl]ethanamine
CID 61334358

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine (CID 63449366) is N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1ccc(C)cc1C)C(C)C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is OSESWSXWYFLRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-7-16(11(2)3)17-14(6)15-9-8-12(4)10-13(15)5/h8-11,14,16-17H,7H2,1-6H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine?
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 63449366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).