2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C19H33N — CID 83151559

IUPAC2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1ccc(CC(C)(CNCC(C)C)C(C)C)cc1
InChIInChI=1S/C19H33N/c1-7-17-8-10-18(11-9-17)12-19(6,16(4)5)14-20-13-15(2)3/h8-11,15-16,20H,7,12-14H2,1-6H3
InChIKeyZQNANHOQSRGWTM-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.70
Rot. Bonds8

About 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine

2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83151559) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83151559
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCc1ccc(CC(C)(CNCC(C)C)C(C)C)cc1
InChIInChI=1S/C19H33N/c1-7-17-8-10-18(11-9-17)12-19(6,16(4)5)14-20-13-15(2)3/h8-11,15-16,20H,7,12-14H2,1-6H3
InChIKeyZQNANHOQSRGWTM-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-2,3-dimethylbutan-1-amine
CID 83150266
2-[(4-ethylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83150614
2-[(2,5-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151781
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151219
2-[(2-methoxyphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151448
2-[(2,3-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151325
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
2-[(3,4-dichlorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159839
3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528904
2-methyl-N-(2-methylpropyl)-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 63509368
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159396
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 107897588

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 83151559) is 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CCc1ccc(CC(C)(CNCC(C)C)C(C)C)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is ZQNANHOQSRGWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-7-17-8-10-18(11-9-17)12-19(6,16(4)5)14-20-13-15(2)3/h8-11,15-16,20H,7,12-14H2,1-6H3.
What are the key properties of 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83151559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).