2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

C16H26N2O — CID 79540145

IUPAC2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCCCOc1ccccc1NC(C)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-3-11-19-16-9-5-4-8-15(16)18-13(2)12-14-7-6-10-17-14/h4-5,8-9,13-14,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyPOFKQYMCGCECPZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.42
Rot. Bonds7

About 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline

2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (PubChem CID 79540145) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
PubChem CID79540145
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
SMILESCCCOc1ccccc1NC(C)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-3-11-19-16-9-5-4-8-15(16)18-13(2)12-14-7-6-10-17-14/h4-5,8-9,13-14,17-18H,3,6-7,10-12H2,1-2H3
InChIKeyPOFKQYMCGCECPZ-UHFFFAOYSA-N
XLogP3.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenoxy]propanamide
CID 79538032
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
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-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
2-N,2-N-dimethyl-3-N-(1-pyrrolidin-2-ylpropan-2-yl)pyridine-2,3-diamine
CID 79541143
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
N-(1-cyclopropylpropan-2-yl)-2-ethoxyaniline
CID 115920665
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

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline (CID 79540145) is 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is CCCOc1ccccc1NC(C)CC1CCCN1.
What is the InChIKey of 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
The InChIKey is POFKQYMCGCECPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-11-19-16-9-5-4-8-15(16)18-13(2)12-14-7-6-10-17-14/h4-5,8-9,13-14,17-18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline?
2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline has a molecular weight of 262.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79540145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).