4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine

C22H31N — CID 23276099

IUPAC4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
SMILESCN(C)CCCC(c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C22H31N/c1-22(2,3)21-16-10-9-14-20(21)19(15-11-17-23(4)5)18-12-7-6-8-13-18/h6-10,12-14,16,19H,11,15,17H2,1-5H3
InChIKeyYHLIOZQGKUTCHQ-UHFFFAOYSA-N
MW309.50 g/mol
LogP5.46
Rot. Bonds6

About 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine

4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine (PubChem CID 23276099) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
PubChem CID23276099
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine
SMILESCN(C)CCCC(c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C22H31N/c1-22(2,3)21-16-10-9-14-20(21)19(15-11-17-23(4)5)18-12-7-6-8-13-18/h6-10,12-14,16,19H,11,15,17H2,1-5H3
InChIKeyYHLIOZQGKUTCHQ-UHFFFAOYSA-N
XLogP5.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine?
The IUPAC name of 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine (CID 23276099) is 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine.
What is the SMILES notation for 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine?
The canonical SMILES for 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine is CN(C)CCCC(c1ccccc1)c1ccccc1C(C)(C)C.
What is the InChIKey of 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine?
The InChIKey is YHLIOZQGKUTCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N/c1-22(2,3)21-16-10-9-14-20(21)19(15-11-17-23(4)5)18-12-7-6-8-13-18/h6-10,12-14,16,19H,11,15,17H2,1-5H3.
What are the key properties of 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine?
4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine has a molecular weight of 309.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenyl)-N,N-dimethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 23276099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).