(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine

C13H19N — CID 43198556

IUPAC(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
SMILESCc1ccc(C)c(C(N)C2CC2C)c1
InChIInChI=1S/C13H19N/c1-8-4-5-9(2)11(6-8)13(14)12-7-10(12)3/h4-6,10,12-13H,7,14H2,1-3H3
InChIKeyPPUHGGZFUHPKRD-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.96
Rot. Bonds2

About (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine

(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine (PubChem CID 43198556) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
PubChem CID43198556
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine
SMILESCc1ccc(C)c(C(N)C2CC2C)c1
InChIInChI=1S/C13H19N/c1-8-4-5-9(2)11(6-8)13(14)12-7-10(12)3/h4-6,10,12-13H,7,14H2,1-3H3
InChIKeyPPUHGGZFUHPKRD-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine
CID 65422351
(2,5-dimethylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105120416
(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680940
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
(2,5-dimethylphenyl)-morpholin-2-ylmethanamine
CID 116940966
[(2-fluoro-5-methylphenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234789
(2,5-dimethylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 105016729
(2-fluoro-4,6-dimethylphenyl)-(2-methylcyclopropyl)methanamine
CID 106881667
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine (CID 43198556) is (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine is Cc1ccc(C)c(C(N)C2CC2C)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
The InChIKey is PPUHGGZFUHPKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-8-4-5-9(2)11(6-8)13(14)12-7-10(12)3/h4-6,10,12-13H,7,14H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine?
(2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 43198556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).