3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline

C13H21NO — CID 93283290

IUPAC3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
SMILESCC[C@H](Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C13H21NO/c1-5-13(10(2)3)14-11-7-6-8-12(9-11)15-4/h6-10,13-14H,5H2,1-4H3/t13-/m0/s1
InChIKeyUXUSOXMHGZDMGD-ZDUSSCGKSA-N
MW207.32 g/mol
LogP3.54
Rot. Bonds5

About 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline

3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline (PubChem CID 93283290) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
PubChem CID93283290
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
SMILESCC[C@H](Nc1cccc(OC)c1)C(C)C
InChIInChI=1S/C13H21NO/c1-5-13(10(2)3)14-11-7-6-8-12(9-11)15-4/h6-10,13-14H,5H2,1-4H3/t13-/m0/s1
InChIKeyUXUSOXMHGZDMGD-ZDUSSCGKSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
N-hexan-3-yl-3-methoxyaniline
CID 115916725
3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93282117
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
ethyl 2-(3-methoxyanilino)-3-methylbutanoate
CID 61317894
2-methoxy-N-[3-(2-methylpentan-3-ylamino)phenyl]acetamide
CID 43784507
2-(3-methoxyanilino)pentan-1-ol
CID 61050273

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline?
The IUPAC name of 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline (CID 93283290) is 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline.
What is the SMILES notation for 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline?
The canonical SMILES for 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline is CC[C@H](Nc1cccc(OC)c1)C(C)C.
What is the InChIKey of 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline?
The InChIKey is UXUSOXMHGZDMGD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(10(2)3)14-11-7-6-8-12(9-11)15-4/h6-10,13-14H,5H2,1-4H3/t13-/m0/s1.
What are the key properties of 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline?
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline has a molecular weight of 207.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline is sourced from PubChem (CID 93283290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).