N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine

C17H29N — CID 83143106

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
SMILESCc1ccc(C(C)NCC(C)C(C)(C)C)cc1C
InChIInChI=1S/C17H29N/c1-12-8-9-16(10-13(12)2)15(4)18-11-14(3)17(5,6)7/h8-10,14-15,18H,11H2,1-7H3
InChIKeyDWONTKPQWIYLIW-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.64
Rot. Bonds4

About N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine

N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine (PubChem CID 83143106) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
PubChem CID83143106
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
SMILESCc1ccc(C(C)NCC(C)C(C)(C)C)cc1C
InChIInChI=1S/C17H29N/c1-12-8-9-16(10-13(12)2)15(4)18-11-14(3)17(5,6)7/h8-10,14-15,18H,11H2,1-7H3
InChIKeyDWONTKPQWIYLIW-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623
2,3,3-trimethyl-N-(1-naphthalen-2-ylethyl)butan-1-amine
CID 83142738
4-(1-bromo-3,4,4-trimethylpentyl)-1,2-dimethylbenzene
CID 63832623
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141596
4-[1-(3,4-dimethylphenyl)ethylamino]-3-methylbutan-1-ol
CID 66090823
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
1-N-[1-(3,4-dimethylphenyl)ethyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43099857
N-[1-(3,4-dimethylphenyl)ethyl]-2-prop-2-enoxypropan-1-amine
CID 114264126
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,4-trimethylpentan-2-amine
CID 43731155
N-[1-(3,4-dimethylphenyl)ethyl]octan-1-amine
CID 115566559
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine (CID 83143106) is N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine is Cc1ccc(C(C)NCC(C)C(C)(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
The InChIKey is DWONTKPQWIYLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12-8-9-16(10-13(12)2)15(4)18-11-14(3)17(5,6)7/h8-10,14-15,18H,11H2,1-7H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 83143106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).