2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline

C16H26N2O — CID 79539126

IUPAC2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCOc1cc(C)ccc1NC(C)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-12-7-8-15(16(10-12)19-3)18-13(2)11-14-6-4-5-9-17-14/h7-8,10,13-14,17-18H,4-6,9,11H2,1-3H3
InChIKeyVFOYWBANNCXOTP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds5

About 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline

2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79539126) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79539126
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCOc1cc(C)ccc1NC(C)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-12-7-8-15(16(10-12)19-3)18-13(2)11-14-6-4-5-9-17-14/h7-8,10,13-14,17-18H,4-6,9,11H2,1-3H3
InChIKeyVFOYWBANNCXOTP-UHFFFAOYSA-N
XLogP3.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-4-methylaniline
CID 79552971
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
2,4-dibromo-5-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 103411701
3-bromo-4-methoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537317
N-[1-(azepan-2-yl)propan-2-yl]-3-fluoro-4-methoxyaniline
CID 79560872
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
4-[1-(azepan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 79541323
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(azepan-2-yl)propan-2-yl]-4-bromo-2,3-dichloroaniline
CID 107788121

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79539126) is 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline is COc1cc(C)ccc1NC(C)CC1CCCCN1.
What is the InChIKey of 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is VFOYWBANNCXOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-8-15(16(10-12)19-3)18-13(2)11-14-6-4-5-9-17-14/h7-8,10,13-14,17-18H,4-6,9,11H2,1-3H3.
What are the key properties of 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline?
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79539126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).