2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline

C18H30N2O — CID 79539102

IUPAC2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(C)COc1ccccc1NC(C)CC1CCCCN1
InChIInChI=1S/C18H30N2O/c1-14(2)13-21-18-10-5-4-9-17(18)20-15(3)12-16-8-6-7-11-19-16/h4-5,9-10,14-16,19-20H,6-8,11-13H2,1-3H3
InChIKeyQIJUWCBEIQEWAE-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.05
Rot. Bonds7

About 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline

2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79539102) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79539102
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(C)COc1ccccc1NC(C)CC1CCCCN1
InChIInChI=1S/C18H30N2O/c1-14(2)13-21-18-10-5-4-9-17(18)20-15(3)12-16-8-6-7-11-19-16/h4-5,9-10,14-16,19-20H,6-8,11-13H2,1-3H3
InChIKeyQIJUWCBEIQEWAE-UHFFFAOYSA-N
XLogP4.05
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540145
3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
CID 79538032
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
2-methoxy-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539126
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
N-(1-piperidin-2-ylpropan-2-yl)quinolin-8-amine
CID 79549224
N-cyclopentyl-2-(2-methylpropoxy)aniline
CID 54864910
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79540760

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79539102) is 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline is CC(C)COc1ccccc1NC(C)CC1CCCCN1.
What is the InChIKey of 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is QIJUWCBEIQEWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)13-21-18-10-5-4-9-17(18)20-15(3)12-16-8-6-7-11-19-16/h4-5,9-10,14-16,19-20H,6-8,11-13H2,1-3H3.
What are the key properties of 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline?
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 290.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79539102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).