(2,4-dimethylphenyl)methanamine;propane

C12H21N — CID 143780972

IUPAC(2,4-dimethylphenyl)methanamine;propane
SMILESCCC.Cc1ccc(CN)c(C)c1
InChIInChI=1S/C9H13N.C3H8/c1-7-3-4-9(6-10)8(2)5-7;1-3-2/h3-5H,6,10H2,1-2H3;3H2,1-2H3
InChIKeyXCYKAXGQWMCJRO-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.18
Rot. Bonds1

About (2,4-dimethylphenyl)methanamine;propane

(2,4-dimethylphenyl)methanamine;propane (PubChem CID 143780972) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2,4-dimethylphenyl)methanamine;propane.

Molecular Properties

Compound Name(2,4-dimethylphenyl)methanamine;propane
PubChem CID143780972
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2,4-dimethylphenyl)methanamine;propane
SMILESCCC.Cc1ccc(CN)c(C)c1
InChIInChI=1S/C9H13N.C3H8/c1-7-3-4-9(6-10)8(2)5-7;1-3-2/h3-5H,6,10H2,1-2H3;3H2,1-2H3
InChIKeyXCYKAXGQWMCJRO-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-[(2,4-dimethylphenyl)methylsulfanyl]ethanamine
CID 82158205
(2-methyl-4-propylphenyl)methanamine
CID 86664509
12-(2,4-dimethylphenyl)dodecan-1-amine
CID 70565754
2-(aminomethyl)-N,N-dibutyl-5-methylaniline
CID 55057054
[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
(4-ethylsulfonyl-2-methylphenyl)methanamine
CID 112594406
(2-methyl-4-methylsulfanylphenyl)methanamine
CID 63814506
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
(4-bromo-2-methylphenyl)methanamine;methanol
CID 142518771
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)methanamine;propane?
The IUPAC name of (2,4-dimethylphenyl)methanamine;propane (CID 143780972) is (2,4-dimethylphenyl)methanamine;propane.
What is the SMILES notation for (2,4-dimethylphenyl)methanamine;propane?
The canonical SMILES for (2,4-dimethylphenyl)methanamine;propane is CCC.Cc1ccc(CN)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)methanamine;propane?
The InChIKey is XCYKAXGQWMCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C3H8/c1-7-3-4-9(6-10)8(2)5-7;1-3-2/h3-5H,6,10H2,1-2H3;3H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)methanamine;propane?
(2,4-dimethylphenyl)methanamine;propane has a molecular weight of 179.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)methanamine;propane is sourced from PubChem (CID 143780972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).