N-[2-(3-methoxyphenyl)propan-2-yl]aniline

C16H19NO — CID 69399416

IUPACN-[2-(3-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1cccc(C(C)(C)Nc2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-16(2,17-14-9-5-4-6-10-14)13-8-7-11-15(12-13)18-3/h4-12,17H,1-3H3
InChIKeyDFGZVADWCFOFED-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.04
Rot. Bonds4

About N-[2-(3-methoxyphenyl)propan-2-yl]aniline

N-[2-(3-methoxyphenyl)propan-2-yl]aniline (PubChem CID 69399416) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)propan-2-yl]aniline.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)propan-2-yl]aniline
PubChem CID69399416
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[2-(3-methoxyphenyl)propan-2-yl]aniline
SMILESCOc1cccc(C(C)(C)Nc2ccccc2)c1
InChIInChI=1S/C16H19NO/c1-16(2,17-14-9-5-4-6-10-14)13-8-7-11-15(12-13)18-3/h4-12,17H,1-3H3
InChIKeyDFGZVADWCFOFED-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-chloropropan-2-yl)-3-methoxybenzene
CID 67293562
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
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2-(3-methoxyphenyl)-2-(4-methylanilino)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)propan-2-yl]aniline?
The IUPAC name of N-[2-(3-methoxyphenyl)propan-2-yl]aniline (CID 69399416) is N-[2-(3-methoxyphenyl)propan-2-yl]aniline.
What is the SMILES notation for N-[2-(3-methoxyphenyl)propan-2-yl]aniline?
The canonical SMILES for N-[2-(3-methoxyphenyl)propan-2-yl]aniline is COc1cccc(C(C)(C)Nc2ccccc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)propan-2-yl]aniline?
The InChIKey is DFGZVADWCFOFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(2,17-14-9-5-4-6-10-14)13-8-7-11-15(12-13)18-3/h4-12,17H,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)propan-2-yl]aniline?
N-[2-(3-methoxyphenyl)propan-2-yl]aniline has a molecular weight of 241.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)propan-2-yl]aniline is sourced from PubChem (CID 69399416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).