N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride

C15H24Cl2N2O — CID 119921660

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(CCOc1ccccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-2-9-18(13-7-8-17-12-13)10-11-19-15-6-4-3-5-14(15)16;/h3-6,13,17H,2,7-12H2,1H3;1H
InChIKeyMWQJUCUWIGNKOL-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.21
Rot. Bonds7

About N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride

N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride (PubChem CID 119921660) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
PubChem CID119921660
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
SMILESCCCN(CCOc1ccccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-2-9-18(13-7-8-17-12-13)10-11-19-15-6-4-3-5-14(15)16;/h3-6,13,17H,2,7-12H2,1H3;1H
InChIKeyMWQJUCUWIGNKOL-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214909
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933164
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 55204961
N-[2-(2,4-dichlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66216702
N-[2-(2-fluorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66215915
N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921375
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
CID 63300204
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride (CID 119921660) is N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride is CCCN(CCOc1ccccc1Cl)C1CCNC1.Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride?
The InChIKey is MWQJUCUWIGNKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-2-9-18(13-7-8-17-12-13)10-11-19-15-6-4-3-5-14(15)16;/h3-6,13,17H,2,7-12H2,1H3;1H.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride?
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119921660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).