N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

C17H29ClN2O2 — CID 119921928

IUPACN-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCOc1ccc(OCCN2CCC(CNC)C2)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-11-20-16-4-6-17(7-5-16)21-12-10-19-9-8-15(14-19)13-18-2;/h4-7,15,18H,3,8-14H2,1-2H3;1H
InChIKeyHNDRKXHRGTYDBI-UHFFFAOYSA-N
MW328.88 g/mol
LogP2.82
Rot. Bonds9

About N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119921928) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119921928
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC NameN-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCCCOc1ccc(OCCN2CCC(CNC)C2)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-3-11-20-16-4-6-17(7-5-16)21-12-10-19-9-8-15(14-19)13-18-2;/h4-7,15,18H,3,8-14H2,1-2H3;1H
InChIKeyHNDRKXHRGTYDBI-UHFFFAOYSA-N
XLogP2.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 63264028
1-[1-[3-(4-fluorophenoxy)propyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263845
4-[2-[3-(methylaminomethyl)piperidin-1-yl]ethoxy]benzonitrile
CID 61203832
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 63264368
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933726
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-[1-[[4-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838446
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922056
3-(bromomethyl)-1-[2-(4-methoxyphenoxy)ethyl]pyrrolidine
CID 80691311

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119921928) is N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is CCCOc1ccc(OCCN2CCC(CNC)C2)cc1.Cl.
What is the InChIKey of N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is HNDRKXHRGTYDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-3-11-20-16-4-6-17(7-5-16)21-12-10-19-9-8-15(14-19)13-18-2;/h4-7,15,18H,3,8-14H2,1-2H3;1H.
What are the key properties of N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119921928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).