1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine

C15H25N — CID 62679741

IUPAC1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-7-15(4,5)14(16-6)13-9-8-11(2)10-12(13)3/h8-10,14,16H,7H2,1-6H3
InChIKeyPBWOOSYHCGYSQB-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.00
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine

1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 62679741) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID62679741
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1ccc(C)cc1C
InChIInChI=1S/C15H25N/c1-7-15(4,5)14(16-6)13-9-8-11(2)10-12(13)3/h8-10,14,16H,7H2,1-6H3
InChIKeyPBWOOSYHCGYSQB-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62678421
1-(2,5-dimethylphenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 116949958
N,2,2-trimethyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105045170
1-(2,4-dimethylphenyl)-1-N,2-N,2-N-triethyl-2-methylbutane-1,2-diamine
CID 79058290
1-(2,5-dimethylphenyl)-N,2,2-trimethylpropan-1-amine
CID 43483759
3-[(2,4-dimethylphenyl)-hydrazinylmethyl]-N,N-diethylpentan-3-amine
CID 105241954
4-(2,5-dimethylphenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953536
1-bromo-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116961880
2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102757971
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
1-(4-methoxy-2-methylphenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63503187
1-(4-methoxy-3,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 83056918

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine (CID 62679741) is 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine is CCC(C)(C)C(NC)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is PBWOOSYHCGYSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-7-15(4,5)14(16-6)13-9-8-11(2)10-12(13)3/h8-10,14,16H,7H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine?
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 62679741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).