2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine

C19H33N — CID 63507772

IUPAC2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)Cc1cc(C)ccc1C
InChIInChI=1S/C19H33N/c1-7-19(8-2,14-20-13-15(3)4)12-18-11-16(5)9-10-17(18)6/h9-11,15,20H,7-8,12-14H2,1-6H3
InChIKeyLUUFTFKDBLMVNT-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.90
Rot. Bonds8

About 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine

2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 63507772) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID63507772
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CC)(CNCC(C)C)Cc1cc(C)ccc1C
InChIInChI=1S/C19H33N/c1-7-19(8-2,14-20-13-15(3)4)12-18-11-16(5)9-10-17(18)6/h9-11,15,20H,7-8,12-14H2,1-6H3
InChIKeyLUUFTFKDBLMVNT-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
5-(2,5-dimethylphenyl)-3-methyl-N-(2-methylpropyl)pentan-1-amine
CID 65305044
2-[2,2-bis(bromomethyl)-4-methylpentyl]-1,4-dimethylbenzene
CID 79452952
N-[[2-[(2,5-dimethylphenyl)methyl]cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027865
2-[(2,5-dimethylphenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83160491
N-[[1-[(2,5-dimethylphenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026917
3-(2,5-dimethylphenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899283
2-ethyl-N-(2-methylpropyl)-2-(thiophen-3-ylmethyl)butan-1-amine
CID 55106895
2-[(3-chloro-4-fluorophenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 103041075
2-[(2-chloro-4-methylphenyl)methyl]-2-ethyl-N-(2-methoxyethyl)butan-1-amine
CID 106869532
4-[(2,5-dimethylphenyl)methyl]heptan-4-ol
CID 114865735
1-[(2,5-dimethylphenyl)methylamino]-3-methylbutan-2-ol
CID 115630684

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine (CID 63507772) is 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine is CCC(CC)(CNCC(C)C)Cc1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is LUUFTFKDBLMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-7-19(8-2,14-20-13-15(3)4)12-18-11-16(5)9-10-17(18)6/h9-11,15,20H,7-8,12-14H2,1-6H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine?
2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-2-ethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 63507772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).