N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline

C14H21NO — CID 43739059

IUPACN-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NC(C)C2CC2)c1C
InChIInChI=1S/C14H21NO/c1-9-5-8-13(10(2)14(9)16-4)15-11(3)12-6-7-12/h5,8,11-12,15H,6-7H2,1-4H3
InChIKeyPGIRPUHZMDGYAJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.52
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline

N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline (PubChem CID 43739059) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline
PubChem CID43739059
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline
SMILESCOc1c(C)ccc(NC(C)C2CC2)c1C
InChIInChI=1S/C14H21NO/c1-9-5-8-13(10(2)14(9)16-4)15-11(3)12-6-7-12/h5,8,11-12,15H,6-7H2,1-4H3
InChIKeyPGIRPUHZMDGYAJ-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline?
The IUPAC name of N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline (CID 43739059) is N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline?
The canonical SMILES for N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline is COc1c(C)ccc(NC(C)C2CC2)c1C.
What is the InChIKey of N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline?
The InChIKey is PGIRPUHZMDGYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-5-8-13(10(2)14(9)16-4)15-11(3)12-6-7-12/h5,8,11-12,15H,6-7H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline?
N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-methoxy-2,4-dimethylaniline is sourced from PubChem (CID 43739059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).