2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine

C17H29N — CID 63522510

IUPAC2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-17(7-2,13-18)12-14-8-10-15(11-9-14)16(3,4)5/h8-11H,6-7,12-13,18H2,1-5H3
InChIKeyRPZZEZKLGVJIAG-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.29
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine

2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine (PubChem CID 63522510) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine
PubChem CID63522510
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-17(7-2,13-18)12-14-8-10-15(11-9-14)16(3,4)5/h8-11H,6-7,12-13,18H2,1-5H3
InChIKeyRPZZEZKLGVJIAG-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 62724100
1-[2,2-bis(chloromethyl)butyl]-4-tert-butylbenzene
CID 79447238
2,2-bis[(4-tert-butylphenyl)methyl]propane-1,3-diol
CID 11057694
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
1-(2-bromo-2-methylpropyl)-4-tert-butylbenzene
CID 82255100
2-(aminomethyl)-2-[(4-propan-2-ylphenyl)methyl]butan-1-ol
CID 106508285
3-[4-(1,1-difluoropropyl)phenyl]-2,2-dimethylpropan-1-amine
CID 116991904
2-[(4-tert-butylphenyl)methyl]-2-ethylbutanoic acid
CID 63402911
1-tert-butyl-4-ethylbenzene
CID 157359507
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
CID 162424412
CID 162424412

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine (CID 63522510) is 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine is CCC(CC)(CN)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine?
The InChIKey is RPZZEZKLGVJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-17(7-2,13-18)12-14-8-10-15(11-9-14)16(3,4)5/h8-11H,6-7,12-13,18H2,1-5H3.
What are the key properties of 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine?
2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 63522510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).