N-[(2,5-dimethylphenyl)methyl]propan-2-amine

C12H19N — CID 43090140

IUPACN-[(2,5-dimethylphenyl)methyl]propan-2-amine
SMILESCc1ccc(C)c(CNC(C)C)c1
InChIInChI=1S/C12H19N/c1-9(2)13-8-12-7-10(3)5-6-11(12)4/h5-7,9,13H,8H2,1-4H3
InChIKeyJBQMEDNDFAJDFI-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.80
Rot. Bonds3

About N-[(2,5-dimethylphenyl)methyl]propan-2-amine

N-[(2,5-dimethylphenyl)methyl]propan-2-amine (PubChem CID 43090140) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]propan-2-amine
PubChem CID43090140
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(2,5-dimethylphenyl)methyl]propan-2-amine
SMILESCc1ccc(C)c(CNC(C)C)c1
InChIInChI=1S/C12H19N/c1-9(2)13-8-12-7-10(3)5-6-11(12)4/h5-7,9,13H,8H2,1-4H3
InChIKeyJBQMEDNDFAJDFI-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
4-bromo-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 83187879
(3R)-3-[(2,5-dimethylphenyl)methylamino]butan-1-ol
CID 103854725
N-[(2,5-dimethylphenyl)methyl]-1-phenylethanamine
CID 60684201
2-[(2,5-dimethylphenyl)methylamino]-N-propan-2-ylpropanamide
CID 113406667
1-[(2,5-dimethylphenyl)methyl]-3-propan-2-ylurea
CID 110774794
1,1-dicyclopropyl-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 60714034
(1R)-1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]ethanamine
CID 78921805
ethyl 2-[(2,5-dimethylphenyl)methylamino]propanoate
CID 54960586
N-[(2,5-dimethylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 60664695
4-(2,5-dimethylphenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64664141

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]propan-2-amine (CID 43090140) is N-[(2,5-dimethylphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]propan-2-amine is Cc1ccc(C)c(CNC(C)C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]propan-2-amine?
The InChIKey is JBQMEDNDFAJDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)13-8-12-7-10(3)5-6-11(12)4/h5-7,9,13H,8H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]propan-2-amine?
N-[(2,5-dimethylphenyl)methyl]propan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 43090140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).