2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine

C15H22N2O — CID 143109562

IUPAC2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine
SMILES[H]/N=C/Cc1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c16-9-8-14-4-6-15(7-5-14)18-13-3-12-17-10-1-2-11-17/h4-7,9,16H,1-3,8,10-13H2/b16-9+
InChIKeyHUIKBYNMNQQBIT-CXUHLZMHSA-N
MW246.35 g/mol
LogP2.74
Rot. Bonds7

About 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine

2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine (PubChem CID 143109562) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine.

Molecular Properties

Compound Name2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine
PubChem CID143109562
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine
SMILES[H]/N=C/Cc1ccc(OCCCN2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c16-9-8-14-4-6-15(7-5-14)18-13-3-12-17-10-1-2-11-17/h4-7,9,16H,1-3,8,10-13H2/b16-9+
InChIKeyHUIKBYNMNQQBIT-CXUHLZMHSA-N
XLogP2.74
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
4-(2-iminoethyl)-N-(3-pyrrolidin-1-ylpropylsulfanyl)aniline
CID 90978224
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
2-piperidin-1-yl-N-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]ethanamine
CID 10269848
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
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2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
CID 68784634
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
1-[3-[4-(4-piperidin-1-ylbut-1-ynyl)phenoxy]propyl]piperidine
CID 15941902
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
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CID 61493668

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine?
The IUPAC name of 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine (CID 143109562) is 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine.
What is the SMILES notation for 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine?
The canonical SMILES for 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine is [H]/N=C/Cc1ccc(OCCCN2CCCC2)cc1.
What is the InChIKey of 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine?
The InChIKey is HUIKBYNMNQQBIT-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H22N2O/c16-9-8-14-4-6-15(7-5-14)18-13-3-12-17-10-1-2-11-17/h4-7,9,16H,1-3,8,10-13H2/b16-9+.
What are the key properties of 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine?
2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine has a molecular weight of 246.35 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanimine is sourced from PubChem (CID 143109562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).