N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine

C15H25N — CID 166969949

IUPACN-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C(C)(C)C(C)C)c1
InChIInChI=1S/C15H25N/c1-6-16-11-13-8-7-9-14(10-13)15(4,5)12(2)3/h7-10,12,16H,6,11H2,1-5H3
InChIKeyFCSRLCAUKZOSDI-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.73
Rot. Bonds5

About N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine

N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine (PubChem CID 166969949) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine
PubChem CID166969949
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C(C)(C)C(C)C)c1
InChIInChI=1S/C15H25N/c1-6-16-11-13-8-7-9-14(10-13)15(4,5)12(2)3/h7-10,12,16H,6,11H2,1-5H3
InChIKeyFCSRLCAUKZOSDI-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
[3-(ethylaminomethyl)phenyl] hypochlorite
CID 163518139
3-(ethylaminomethyl)benzaldehyde
CID 90105279
[3-(ethylaminomethyl)phenyl]boronic acid
CID 46785556
3-chloro-1-[3-(ethylaminomethyl)phenyl]propane-1,2-diol
CID 171862449
N-[[3-(1,1-difluoroethyl)phenyl]methyl]propan-2-amine
CID 116992438
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
N-[(3-tert-butylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 59788958

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine (CID 166969949) is N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine is CCNCc1cccc(C(C)(C)C(C)C)c1.
What is the InChIKey of N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine?
The InChIKey is FCSRLCAUKZOSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-16-11-13-8-7-9-14(10-13)15(4,5)12(2)3/h7-10,12,16H,6,11H2,1-5H3.
What are the key properties of N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine?
N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine has a molecular weight of 219.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dimethylbutan-2-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 166969949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).