5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline

C18H21NO — CID 144933472

IUPAC5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline
SMILESCNc1cc(C2CC2)ccc1COc1ccccc1C
InChIInChI=1S/C18H21NO/c1-13-5-3-4-6-18(13)20-12-16-10-9-15(14-7-8-14)11-17(16)19-2/h3-6,9-11,14,19H,7-8,12H2,1-2H3
InChIKeyGWYCSUQPMBXNSJ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.49
Rot. Bonds5

About 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline

5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline (PubChem CID 144933472) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline.

Molecular Properties

Compound Name5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline
PubChem CID144933472
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline
SMILESCNc1cc(C2CC2)ccc1COc1ccccc1C
InChIInChI=1S/C18H21NO/c1-13-5-3-4-6-18(13)20-12-16-10-9-15(14-7-8-14)11-17(16)19-2/h3-6,9-11,14,19H,7-8,12H2,1-2H3
InChIKeyGWYCSUQPMBXNSJ-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The IUPAC name of 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline (CID 144933472) is 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline.
What is the SMILES notation for 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The canonical SMILES for 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline is CNc1cc(C2CC2)ccc1COc1ccccc1C.
What is the InChIKey of 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The InChIKey is GWYCSUQPMBXNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-5-3-4-6-18(13)20-12-16-10-9-15(14-7-8-14)11-17(16)19-2/h3-6,9-11,14,19H,7-8,12H2,1-2H3.
What are the key properties of 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline has a molecular weight of 267.37 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-methyl-2-[(2-methylphenoxy)methyl]aniline is sourced from PubChem (CID 144933472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).