(2,3,4,5,6-pentamethylphenyl)methanamine

C12H19N — CID 2806690

IUPAC(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(CN)c(C)c1C
InChIInChI=1S/C12H19N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6,13H2,1-5H3
InChIKeySKSAJXRVVUDTKL-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.69
Rot. Bonds1

About (2,3,4,5,6-pentamethylphenyl)methanamine

(2,3,4,5,6-pentamethylphenyl)methanamine (PubChem CID 2806690) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (2,3,4,5,6-pentamethylphenyl)methanamine.

Molecular Properties

Compound Name(2,3,4,5,6-pentamethylphenyl)methanamine
PubChem CID2806690
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(2,3,4,5,6-pentamethylphenyl)methanamine
SMILESCc1c(C)c(C)c(CN)c(C)c1C
InChIInChI=1S/C12H19N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6,13H2,1-5H3
InChIKeySKSAJXRVVUDTKL-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentamethylphenyl)methanamine?
The IUPAC name of (2,3,4,5,6-pentamethylphenyl)methanamine (CID 2806690) is (2,3,4,5,6-pentamethylphenyl)methanamine.
What is the SMILES notation for (2,3,4,5,6-pentamethylphenyl)methanamine?
The canonical SMILES for (2,3,4,5,6-pentamethylphenyl)methanamine is Cc1c(C)c(C)c(CN)c(C)c1C.
What is the InChIKey of (2,3,4,5,6-pentamethylphenyl)methanamine?
The InChIKey is SKSAJXRVVUDTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-7-8(2)10(4)12(6-13)11(5)9(7)3/h6,13H2,1-5H3.
What are the key properties of (2,3,4,5,6-pentamethylphenyl)methanamine?
(2,3,4,5,6-pentamethylphenyl)methanamine has a molecular weight of 177.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentamethylphenyl)methanamine is sourced from PubChem (CID 2806690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).