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

C16H27N — CID 63448800

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H27N/c1-6-7-13(3)11-17-15(5)16-9-8-12(2)10-14(16)4/h8-10,13,15,17H,6-7,11H2,1-5H3
InChIKeyHBVTVFNGUPXZNW-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.39
Rot. Bonds6

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

N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine (PubChem CID 63448800) 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-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
PubChem CID63448800
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
SMILESCCCC(C)CNC(C)c1ccc(C)cc1C
InChIInChI=1S/C16H27N/c1-6-7-13(3)11-17-15(5)16-9-8-12(2)10-14(16)4/h8-10,13,15,17H,6-7,11H2,1-5H3
InChIKeyHBVTVFNGUPXZNW-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pentan-1-amine
CID 81350261
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
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N-[1-(2,4-dichlorophenyl)ethyl]-2-methylpentan-1-amine
CID 43095140
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
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1-heptan-4-yl-2,4-dimethylbenzene
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N-[1-(2,4-dimethylphenyl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 61011128
N-[1-(2,4-dimethylphenyl)ethyl]-2,2,2-trifluoroethanamine
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1-(2,4-dimethylphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103780969
N-[1-(2,4-dimethylphenyl)ethyl]-1-phenylbutan-1-amine
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CID 43674264

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine (CID 63448800) is N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine is CCCC(C)CNC(C)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine?
The InChIKey is HBVTVFNGUPXZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-7-13(3)11-17-15(5)16-9-8-12(2)10-14(16)4/h8-10,13,15,17H,6-7,11H2,1-5H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine?
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.39, 6 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-1-amine is sourced from PubChem (CID 63448800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).