3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline

C23H41NO2 — CID 21043196

IUPAC3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
SMILESCc1cccc(N(CC(C)COC(C)(C)C)CC(C)COC(C)(C)C)c1
InChIInChI=1S/C23H41NO2/c1-18-11-10-12-21(13-18)24(14-19(2)16-25-22(4,5)6)15-20(3)17-26-23(7,8)9/h10-13,19-20H,14-17H2,1-9H3
InChIKeyPUHXJNLBQCTTRP-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.70
Rot. Bonds9

About 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline

3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline (PubChem CID 21043196) has the molecular formula C23H41NO2 and a molecular weight of 363.59 g/mol. Its IUPAC name is 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline.

Molecular Properties

Compound Name3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
PubChem CID21043196
Molecular FormulaC23H41NO2
Molecular Weight363.59 g/mol
Exact Mass363.31
IUPAC Name3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
SMILESCc1cccc(N(CC(C)COC(C)(C)C)CC(C)COC(C)(C)C)c1
InChIInChI=1S/C23H41NO2/c1-18-11-10-12-21(13-18)24(14-19(2)16-25-22(4,5)6)15-20(3)17-26-23(7,8)9/h10-13,19-20H,14-17H2,1-9H3
InChIKeyPUHXJNLBQCTTRP-UHFFFAOYSA-N
XLogP5.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline
CID 21043206
3-methylaniline;3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline;2-(propan-2-yloxymethyl)oxirane
CID 161371183
2-[3-methyl-N-(2-methylpropyl)anilino]ethanol
CID 91509745
1-(N-ethyl-3-methylanilino)-4,4-dimethylpentan-3-ol
CID 62623748
N-[2-(1-ethoxyethoxy)ethyl]-N-ethyl-3-methylaniline
CID 131710840
1-(N-ethyl-3-methylanilino)-2-methylpropan-2-ol
CID 61101851
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
CID 138691667
CID 138691667
1-(N-ethyl-3-methylanilino)propan-2-yl hydrogen sulfite
CID 91035286
N-[2-[1-(2-chloroethoxy)propan-2-yloxy]ethyl]-N-ethyl-3-methylaniline
CID 126575366
N-ethyl-3-methyl-N-[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 59207762
3-(N-ethyl-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 62272248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
The IUPAC name of 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline (CID 21043196) is 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline.
What is the SMILES notation for 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
The canonical SMILES for 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline is Cc1cccc(N(CC(C)COC(C)(C)C)CC(C)COC(C)(C)C)c1.
What is the InChIKey of 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
The InChIKey is PUHXJNLBQCTTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41NO2/c1-18-11-10-12-21(13-18)24(14-19(2)16-25-22(4,5)6)15-20(3)17-26-23(7,8)9/h10-13,19-20H,14-17H2,1-9H3.
What are the key properties of 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline?
3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline has a molecular weight of 363.59 g/mol, XLogP of 5.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-bis[2-methyl-3-[(2-methylpropan-2-yl)oxy]propyl]aniline is sourced from PubChem (CID 21043196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).