N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine

C13H21N — CID 63887722

IUPACN-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CC(C)C
InChIInChI=1S/C13H21N/c1-4-14-10-13-8-6-5-7-12(13)9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyYJSAAVTWLUMVEF-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.99
Rot. Bonds5

About N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine

N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine (PubChem CID 63887722) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
PubChem CID63887722
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1CC(C)C
InChIInChI=1S/C13H21N/c1-4-14-10-13-8-6-5-7-12(13)9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyYJSAAVTWLUMVEF-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-N-[[2-(ethylaminomethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62421624
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
N-[[2-(2-methylpropoxymethyl)phenyl]methyl]ethanamine
CID 62445506
2-(ethylaminomethyl)phenol
CID 12995218
N-[[4-(2-methylpropyl)thiophen-3-yl]methyl]ethanamine
CID 114748814
N-[[2-[3-(2-methylpropyl)phenyl]phenyl]methyl]ethanamine
CID 116545389
N-[[2-[[ethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62417230
potassium;carbanide;ethane;N-[[2-(2-methylpropyl)phenyl]methyl]formamide
CID 166137026
2-(2-methylpropyl)phenol;propane
CID 158609255
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
CID 106887200
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine (CID 63887722) is N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine is CCNCc1ccccc1CC(C)C.
What is the InChIKey of N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine?
The InChIKey is YJSAAVTWLUMVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-14-10-13-8-6-5-7-12(13)9-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine?
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine has a molecular weight of 191.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 63887722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).