1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine

C24H35N — CID 63413266

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C24H35N/c1-7-13-25-22(16-20-11-9-8-10-12-20)17-23-18(2)14-21(15-19(23)3)24(4,5)6/h8-12,14-15,22,25H,7,13,16-17H2,1-6H3
InChIKeyIOGCSTPCPNAVPK-UHFFFAOYSA-N
MW337.55 g/mol
LogP5.75
Rot. Bonds7

About 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine

1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine (PubChem CID 63413266) has the molecular formula C24H35N and a molecular weight of 337.55 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine
PubChem CID63413266
Molecular FormulaC24H35N
Molecular Weight337.55 g/mol
Exact Mass337.28
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1)Cc1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C24H35N/c1-7-13-25-22(16-20-11-9-8-10-12-20)17-23-18(2)14-21(15-19(23)3)24(4,5)6/h8-12,14-15,22,25H,7,13,16-17H2,1-6H3
InChIKeyIOGCSTPCPNAVPK-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)-N-propylpent-4-en-2-amine
CID 63413264
1-phenyl-N-propyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 63412549
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
1-(2-bromophenyl)-3-phenyl-N-propylpropan-2-amine
CID 60817947
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
1-(2,3-difluorophenyl)-3-phenyl-N-propylpropan-2-amine
CID 62601665
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
1-(2,6-dimethylphenyl)-N-propylheptan-2-amine
CID 105024635

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine (CID 63413266) is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine is CCCNC(Cc1ccccc1)Cc1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine?
The InChIKey is IOGCSTPCPNAVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N/c1-7-13-25-22(16-20-11-9-8-10-12-20)17-23-18(2)14-21(15-19(23)3)24(4,5)6/h8-12,14-15,22,25H,7,13,16-17H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine?
1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine has a molecular weight of 337.55 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 63413266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).