N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine

C13H21N — CID 58593474

IUPACN-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1CC(C)C
InChIInChI=1S/C13H21N/c1-10(2)9-12-7-5-6-8-13(12)11(3)14-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyJAWIUWJADRGRCF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.17
Rot. Bonds4

About N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine

N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine (PubChem CID 58593474) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine
PubChem CID58593474
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1CC(C)C
InChIInChI=1S/C13H21N/c1-10(2)9-12-7-5-6-8-13(12)11(3)14-4/h5-8,10-11,14H,9H2,1-4H3
InChIKeyJAWIUWJADRGRCF-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
1-[2-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
CID 84727152
2-[(1S)-1-(methylamino)ethyl]benzenethiol
CID 131140509
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
1-[2-[1-(methylamino)ethyl]phenyl]ethanamine
CID 139989769
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-[2-[(2-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 103288708
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
1-[2-(1,1-difluoroethyl)phenyl]-N-methylethanamine
CID 84668909
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine (CID 58593474) is N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine is CNC(C)c1ccccc1CC(C)C.
What is the InChIKey of N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is JAWIUWJADRGRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-10(2)9-12-7-5-6-8-13(12)11(3)14-4/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine?
N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 58593474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).