N,4-dimethyl-3-propan-2-ylaniline

C11H17N — CID 45096209

IUPACN,4-dimethyl-3-propan-2-ylaniline
SMILESCNc1ccc(C)c(C(C)C)c1
InChIInChI=1S/C11H17N/c1-8(2)11-7-10(12-4)6-5-9(11)3/h5-8,12H,1-4H3
InChIKeyKQRYCJBFMBFSBF-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.16
Rot. Bonds2

About N,4-dimethyl-3-propan-2-ylaniline

N,4-dimethyl-3-propan-2-ylaniline (PubChem CID 45096209) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,4-dimethyl-3-propan-2-ylaniline.

Molecular Properties

Compound NameN,4-dimethyl-3-propan-2-ylaniline
PubChem CID45096209
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,4-dimethyl-3-propan-2-ylaniline
SMILESCNc1ccc(C)c(C(C)C)c1
InChIInChI=1S/C11H17N/c1-8(2)11-7-10(12-4)6-5-9(11)3/h5-8,12H,1-4H3
InChIKeyKQRYCJBFMBFSBF-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-propan-2-ylaniline?
The IUPAC name of N,4-dimethyl-3-propan-2-ylaniline (CID 45096209) is N,4-dimethyl-3-propan-2-ylaniline.
What is the SMILES notation for N,4-dimethyl-3-propan-2-ylaniline?
The canonical SMILES for N,4-dimethyl-3-propan-2-ylaniline is CNc1ccc(C)c(C(C)C)c1.
What is the InChIKey of N,4-dimethyl-3-propan-2-ylaniline?
The InChIKey is KQRYCJBFMBFSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-8(2)11-7-10(12-4)6-5-9(11)3/h5-8,12H,1-4H3.
What are the key properties of N,4-dimethyl-3-propan-2-ylaniline?
N,4-dimethyl-3-propan-2-ylaniline has a molecular weight of 163.26 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-propan-2-ylaniline is sourced from PubChem (CID 45096209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).