N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline

C15H24N2O — CID 87749970

IUPACN-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCCCON(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-2-14-18-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-16/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyNNTBVBOJHVDBKB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds7

About N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline

N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 87749970) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID87749970
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCCCON(CCN1CCCC1)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-2-14-18-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-16/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKeyNNTBVBOJHVDBKB-UHFFFAOYSA-N
XLogP2.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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-propan-2-yloxy-N-(2-pyrrolidin-1-ylethyl)aniline
CID 87749404
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
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
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
3-N-ethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 107912737
N-(3-methylsulfanylpropyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 118584768
N-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 88546944

Frequently Asked Questions

What is the IUPAC name of N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline (CID 87749970) is N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline is CCCON(CCN1CCCC1)c1ccccc1.
What is the InChIKey of N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is NNTBVBOJHVDBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-14-18-17(15-8-4-3-5-9-15)13-12-16-10-6-7-11-16/h3-5,8-9H,2,6-7,10-14H2,1H3.
What are the key properties of N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline?
N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 248.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxy-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 87749970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).