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

C13H21NO — CID 28548125

IUPAC3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
SMILESCC[C@H](C)[C@H](C)Nc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-5-10(2)11(3)14-12-7-6-8-13(9-12)15-4/h6-11,14H,5H2,1-4H3/t10-,11-/m0/s1
InChIKeyOUKYYYKSNGBWBC-QWRGUYRKSA-N
MW207.32 g/mol
LogP3.54
Rot. Bonds5

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

3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline (PubChem CID 28548125) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline.

Molecular Properties

Compound Name3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
PubChem CID28548125
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
SMILESCC[C@H](C)[C@H](C)Nc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-5-10(2)11(3)14-12-7-6-8-13(9-12)15-4/h6-11,14H,5H2,1-4H3/t10-,11-/m0/s1
InChIKeyOUKYYYKSNGBWBC-QWRGUYRKSA-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

Analyze 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
3-methoxy-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93283290
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353
N-hexan-3-yl-3-methoxyaniline
CID 115916725
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
3-methoxy-N-(1-methylsulfanylpropan-2-yl)aniline
CID 68822883
3-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 61318903
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
N-[3-(3-methylpentan-2-ylamino)phenyl]acetamide
CID 43201157
3-ethoxy-N-(3-methoxybutan-2-yl)aniline
CID 115917474

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline?
The IUPAC name of 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline (CID 28548125) is 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline.
What is the SMILES notation for 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline?
The canonical SMILES for 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline is CC[C@H](C)[C@H](C)Nc1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline?
The InChIKey is OUKYYYKSNGBWBC-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-10(2)11(3)14-12-7-6-8-13(9-12)15-4/h6-11,14H,5H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline?
3-methoxy-N-[(2S,3S)-3-methylpentan-2-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-[(2S,3S)-3-methylpentan-2-yl]aniline is sourced from PubChem (CID 28548125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).