N-(1,3-dimethoxypropan-2-yl)-3-methylaniline

C12H19NO2 — CID 13275408

IUPACN-(1,3-dimethoxypropan-2-yl)-3-methylaniline
SMILESCOCC(COC)Nc1cccc(C)c1
InChIInChI=1S/C12H19NO2/c1-10-5-4-6-11(7-10)13-12(8-14-2)9-15-3/h4-7,12-13H,8-9H2,1-3H3
InChIKeyBPYUEBWDIXDTSG-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.07
Rot. Bonds6

About N-(1,3-dimethoxypropan-2-yl)-3-methylaniline

N-(1,3-dimethoxypropan-2-yl)-3-methylaniline (PubChem CID 13275408) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(1,3-dimethoxypropan-2-yl)-3-methylaniline.

Molecular Properties

Compound NameN-(1,3-dimethoxypropan-2-yl)-3-methylaniline
PubChem CID13275408
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(1,3-dimethoxypropan-2-yl)-3-methylaniline
SMILESCOCC(COC)Nc1cccc(C)c1
InChIInChI=1S/C12H19NO2/c1-10-5-4-6-11(7-10)13-12(8-14-2)9-15-3/h4-7,12-13H,8-9H2,1-3H3
InChIKeyBPYUEBWDIXDTSG-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-2-(3-methylanilino)butanoic acid
CID 116502022
4-methoxy-4-methyl-2-(3-methylanilino)pentan-1-ol
CID 106676183
N'-(1-methoxypropan-2-yl)-N-(3-methylphenyl)oxamide
CID 44996313
ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]benzonitrile
CID 106189087
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
N-(4-bromo-1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 106158483
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethoxypropan-2-yl)-3-methylaniline?
The IUPAC name of N-(1,3-dimethoxypropan-2-yl)-3-methylaniline (CID 13275408) is N-(1,3-dimethoxypropan-2-yl)-3-methylaniline.
What is the SMILES notation for N-(1,3-dimethoxypropan-2-yl)-3-methylaniline?
The canonical SMILES for N-(1,3-dimethoxypropan-2-yl)-3-methylaniline is COCC(COC)Nc1cccc(C)c1.
What is the InChIKey of N-(1,3-dimethoxypropan-2-yl)-3-methylaniline?
The InChIKey is BPYUEBWDIXDTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-5-4-6-11(7-10)13-12(8-14-2)9-15-3/h4-7,12-13H,8-9H2,1-3H3.
What are the key properties of N-(1,3-dimethoxypropan-2-yl)-3-methylaniline?
N-(1,3-dimethoxypropan-2-yl)-3-methylaniline has a molecular weight of 209.29 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethoxypropan-2-yl)-3-methylaniline is sourced from PubChem (CID 13275408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).