N-(1-methoxypropan-2-yl)-4-phenylaniline

C16H19NO — CID 62536989

IUPACN-(1-methoxypropan-2-yl)-4-phenylaniline
SMILESCOCC(C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13(12-18-2)17-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyOLLKHXBIAJVQTK-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.80
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-4-phenylaniline

N-(1-methoxypropan-2-yl)-4-phenylaniline (PubChem CID 62536989) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4-phenylaniline.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4-phenylaniline
PubChem CID62536989
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-(1-methoxypropan-2-yl)-4-phenylaniline
SMILESCOCC(C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-13(12-18-2)17-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyOLLKHXBIAJVQTK-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-(1-methoxypropan-2-ylamino)phenyl]ethanone
CID 115576830
N-(1-methoxypropan-2-yl)-4-(1,3,4-oxadiazol-2-yl)aniline
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4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
4-butyl-N-(1-methoxypropan-2-yl)aniline
CID 62536026
N-(1-methoxypropan-2-yl)-4-nitroaniline
CID 23104376
N-ethyl-4-(1-methoxypropan-2-ylamino)benzamide
CID 62534322
2-methoxy-1-N'-phenylethane-1,1-diamine
CID 139645747
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
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CID 62534680

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4-phenylaniline?
The IUPAC name of N-(1-methoxypropan-2-yl)-4-phenylaniline (CID 62536989) is N-(1-methoxypropan-2-yl)-4-phenylaniline.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4-phenylaniline?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4-phenylaniline is COCC(C)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4-phenylaniline?
The InChIKey is OLLKHXBIAJVQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13(12-18-2)17-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of N-(1-methoxypropan-2-yl)-4-phenylaniline?
N-(1-methoxypropan-2-yl)-4-phenylaniline has a molecular weight of 241.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4-phenylaniline is sourced from PubChem (CID 62536989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).