N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine

C13H21N — CID 115705431

IUPACN-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(C)NC(C)C)c1C
InChIInChI=1S/C13H21N/c1-9(2)14-12(5)13-8-6-7-10(3)11(13)4/h6-9,12,14H,1-5H3
InChIKeyWJFRZTVTYWPZFV-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.36
Rot. Bonds3

About N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine

N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine (PubChem CID 115705431) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
PubChem CID115705431
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine
SMILESCc1cccc(C(C)NC(C)C)c1C
InChIInChI=1S/C13H21N/c1-9(2)14-12(5)13-8-6-7-10(3)11(13)4/h6-9,12,14H,1-5H3
InChIKeyWJFRZTVTYWPZFV-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,3-dimethylphenyl)ethylamino]propane-1,3-diol
CID 115724144
(4S)-4-[[(1S)-1-(2,3-dimethylphenyl)ethyl]amino]pentan-1-ol
CID 99849214
1,2-dimethyl-3-propan-2-ylbenzene;N-methylmethanamine
CID 143062777
N-[1-(2,3-dimethylphenyl)ethyl]prop-2-yn-1-amine
CID 115706898
4-[(1R)-1-[[(1R)-1-(2,3-dimethylphenyl)ethyl]amino]ethyl]-N-methylbenzenesulfonamide
CID 99696227
1-(2,3-dimethylphenyl)-2-methylpropan-1-ol
CID 22486887
1,2-dimethyl-3-(1-methylsulfanylethyl)benzene
CID 86182436
1-(4-chloropentan-2-yl)-2,3-dimethylbenzene
CID 64719009
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
N-[1-(2,3-dimethylphenyl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133388060

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine (CID 115705431) is N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine is Cc1cccc(C(C)NC(C)C)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine?
The InChIKey is WJFRZTVTYWPZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)14-12(5)13-8-6-7-10(3)11(13)4/h6-9,12,14H,1-5H3.
What are the key properties of N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine?
N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 115705431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).