N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline

C15H24N2O — CID 87749404

IUPACN-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCC(C)ON(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-14(2)18-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyQSKHWXLYHCXNMX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds6

About N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline

N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 87749404) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID87749404
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCC(C)ON(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-14(2)18-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyQSKHWXLYHCXNMX-UHFFFAOYSA-N
XLogP2.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline
CID 87749970
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
N-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 91503800
1-phenyl-1-(2-piperidin-1-ylethyl)hydrazine
CID 3028753
methyl N-phenyl-N-(2-pyrrolidin-1-ylethyl)carbamate
CID 142235373
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206599
N-benzhydryl-N-(2-piperidin-1-ylethyl)propan-2-amine;hydrochloride
CID 117066717
N-ethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 131905999
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
1-(3-phenylsulfanylbutyl)piperidine
CID 21391076

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline (CID 87749404) is N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline is CC(C)ON(CCN1CCCC1)c1ccccc1.
What is the InChIKey of N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is QSKHWXLYHCXNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2)18-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline?
N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 87749404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).