4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine

C18H31N — CID 126603379

IUPAC4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1cccc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C18H31N/c1-13(2)17-15(11-10-14(3)12-19)8-7-9-16(17)18(4,5)6/h7-9,13-14H,10-12,19H2,1-6H3
InChIKeyKDRDUAWZIRUZDR-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.63
Rot. Bonds5

About 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine

4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine (PubChem CID 126603379) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine
PubChem CID126603379
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine
SMILESCC(CN)CCc1cccc(C(C)(C)C)c1C(C)C
InChIInChI=1S/C18H31N/c1-13(2)17-15(11-10-14(3)12-19)8-7-9-16(17)18(4,5)6/h7-9,13-14H,10-12,19H2,1-6H3
InChIKeyKDRDUAWZIRUZDR-UHFFFAOYSA-N
XLogP4.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine (CID 126603379) is 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine is CC(CN)CCc1cccc(C(C)(C)C)c1C(C)C.
What is the InChIKey of 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine?
The InChIKey is KDRDUAWZIRUZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-13(2)17-15(11-10-14(3)12-19)8-7-9-16(17)18(4,5)6/h7-9,13-14H,10-12,19H2,1-6H3.
What are the key properties of 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine?
4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-2-propan-2-ylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 126603379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).