3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

C20H27NO — CID 54852592

IUPAC3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESCOc1cccc(NCC(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C20H27NO/c1-15(2)12-17-8-10-18(11-9-17)16(3)14-21-19-6-5-7-20(13-19)22-4/h5-11,13,15-16,21H,12,14H2,1-4H3
InChIKeySVTRLNAOZPJGFJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.11
Rot. Bonds7

About 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline

3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (PubChem CID 54852592) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
PubChem CID54852592
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
SMILESCOc1cccc(NCC(C)c2ccc(CC(C)C)cc2)c1
InChIInChI=1S/C20H27NO/c1-15(2)12-17-8-10-18(11-9-17)16(3)14-21-19-6-5-7-20(13-19)22-4/h5-11,13,15-16,21H,12,14H2,1-4H3
InChIKeySVTRLNAOZPJGFJ-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852912
2-(3-methoxyphenyl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 42997257
2-(3-methoxyphenyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43095852
3,5-dimethoxy-N-[(2S)-2-[4-(2-methylpropyl)phenyl]propyl]benzamide
CID 102377978
2-amino-3-(3-methoxyanilino)propanoic acid
CID 103234775
4-ethenyl-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 175171618
2,3-dichloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline
CID 54852650
N-[2-(4-chlorophenoxy)propyl]-3-methoxyaniline
CID 54797523
ethane;N-ethyl-3-methoxyaniline
CID 142222302
1-[1-(4-butan-2-ylphenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 19675554
1-(3-methoxyphenyl)-3-(2-phenylpropyl)urea
CID 51328278
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The IUPAC name of 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline (CID 54852592) is 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline.
What is the SMILES notation for 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The canonical SMILES for 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is COc1cccc(NCC(C)c2ccc(CC(C)C)cc2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
The InChIKey is SVTRLNAOZPJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-15(2)12-17-8-10-18(11-9-17)16(3)14-21-19-6-5-7-20(13-19)22-4/h5-11,13,15-16,21H,12,14H2,1-4H3.
What are the key properties of 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline?
3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline has a molecular weight of 297.44 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[4-(2-methylpropyl)phenyl]propyl]aniline is sourced from PubChem (CID 54852592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).