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

C16H28N2 — CID 113425638

IUPAC2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCNCCc1ccccc1CNCC(C)C(C)C
InChIInChI=1S/C16H28N2/c1-13(2)14(3)11-18-12-16-8-6-5-7-15(16)9-10-17-4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyZZPYSANIMFBYKF-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.83
Rot. Bonds8

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

2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine (PubChem CID 113425638) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
PubChem CID113425638
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
SMILESCNCCc1ccccc1CNCC(C)C(C)C
InChIInChI=1S/C16H28N2/c1-13(2)14(3)11-18-12-16-8-6-5-7-15(16)9-10-17-4/h5-8,13-14,17-18H,9-12H2,1-4H3
InChIKeyZZPYSANIMFBYKF-UHFFFAOYSA-N
XLogP2.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902
2,3,3-trimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine
CID 104546986
2-[(2,3-dimethylbutylamino)methyl]aniline
CID 64596728
2,2,2-trifluoro-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]ethanamine
CID 104546912
2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
CID 113425631
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]heptan-2-amine
CID 104546914
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
N-[(2,3-dimethoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569277
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461
N-[[2-[2-(methylamino)ethyl]phenyl]methyl]cycloheptanamine
CID 104546893

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine (CID 113425638) is 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine is CNCCc1ccccc1CNCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
The InChIKey is ZZPYSANIMFBYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-13(2)14(3)11-18-12-16-8-6-5-7-15(16)9-10-17-4/h5-8,13-14,17-18H,9-12H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine?
2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 113425638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).