2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine

C17H30N2 — CID 104546986

IUPAC2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCNCCc1ccccc1CNCC(C)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-14(17(2,3)4)12-19-13-16-9-7-6-8-15(16)10-11-18-5/h6-9,14,18-19H,10-13H2,1-5H3
InChIKeyWUJPHQLAMLIBCW-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.22
Rot. Bonds7

About 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine

2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine (PubChem CID 104546986) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
PubChem CID104546986
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCNCCc1ccccc1CNCC(C)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-14(17(2,3)4)12-19-13-16-9-7-6-8-15(16)10-11-18-5/h6-9,14,18-19H,10-13H2,1-5H3
InChIKeyWUJPHQLAMLIBCW-UHFFFAOYSA-N
XLogP3.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 113425638
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
CID 104546912
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
2-fluoro-6-[(2,3,3-trimethylbutylamino)methyl]aniline
CID 83143874
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
CID 113425631
2,3,3-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butan-1-amine
CID 83142141
N-[(2,5-difluorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966818
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
CID 104546914

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine (CID 104546986) is 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine is CNCCc1ccccc1CNCC(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
The InChIKey is WUJPHQLAMLIBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-14(17(2,3)4)12-19-13-16-9-7-6-8-15(16)10-11-18-5/h6-9,14,18-19H,10-13H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 104546986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).