N-hexan-3-yl-3-methoxyaniline

C13H21NO — CID 115916725

IUPACN-hexan-3-yl-3-methoxyaniline
SMILESCCCC(CC)Nc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-7-11(5-2)14-12-8-6-9-13(10-12)15-3/h6,8-11,14H,4-5,7H2,1-3H3
InChIKeyVOZAOFRIDNHOCE-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.69
Rot. Bonds6

About N-hexan-3-yl-3-methoxyaniline

N-hexan-3-yl-3-methoxyaniline (PubChem CID 115916725) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-hexan-3-yl-3-methoxyaniline.

Molecular Properties

Compound NameN-hexan-3-yl-3-methoxyaniline
PubChem CID115916725
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-hexan-3-yl-3-methoxyaniline
SMILESCCCC(CC)Nc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-7-11(5-2)14-12-8-6-9-13(10-12)15-3/h6,8-11,14H,4-5,7H2,1-3H3
InChIKeyVOZAOFRIDNHOCE-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyanilino)pentan-1-ol
CID 61050273
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
2-(3-methoxyanilino)-4-methylpentanenitrile
CID 60990472
N-hydroxy-2-(3-methoxyanilino)hexanamide
CID 87720866
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-3-methoxyaniline?
The IUPAC name of N-hexan-3-yl-3-methoxyaniline (CID 115916725) is N-hexan-3-yl-3-methoxyaniline.
What is the SMILES notation for N-hexan-3-yl-3-methoxyaniline?
The canonical SMILES for N-hexan-3-yl-3-methoxyaniline is CCCC(CC)Nc1cccc(OC)c1.
What is the InChIKey of N-hexan-3-yl-3-methoxyaniline?
The InChIKey is VOZAOFRIDNHOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-7-11(5-2)14-12-8-6-9-13(10-12)15-3/h6,8-11,14H,4-5,7H2,1-3H3.
What are the key properties of N-hexan-3-yl-3-methoxyaniline?
N-hexan-3-yl-3-methoxyaniline has a molecular weight of 207.32 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-3-methoxyaniline is sourced from PubChem (CID 115916725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).