4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

C19H33N — CID 81015179

IUPAC4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33N/c1-14(2)20-13-16(4)15(3)12-17-8-10-18(11-9-17)19(5,6)7/h8-11,14-16,20H,12-13H2,1-7H3
InChIKeyAPNSXRPIZIIOMY-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.80
Rot. Bonds6

About 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 81015179) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID81015179
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)C(C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33N/c1-14(2)20-13-16(4)15(3)12-17-8-10-18(11-9-17)19(5,6)7/h8-11,14-16,20H,12-13H2,1-7H3
InChIKeyAPNSXRPIZIIOMY-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-iodophenyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139224
3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
CID 142040255
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
2-(4-tert-butylphenyl)-3-methyl-N-propan-2-ylhexan-1-amine
CID 107887144
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736
1-tert-butyl-4-(2,4,5,5-tetramethylhexyl)benzene
CID 57303246
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
(2S)-2-[(4-tert-butylphenyl)methylamino]-3-methylbutan-1-ol
CID 79253395
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
CID 64719182
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 65489905
N-[[1-[(4-tert-butylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194218
2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 81015179) is 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)C(C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is APNSXRPIZIIOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-14(2)20-13-16(4)15(3)12-17-8-10-18(11-9-17)19(5,6)7/h8-11,14-16,20H,12-13H2,1-7H3.
What are the key properties of 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81015179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).