N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride

C14H23ClN2O — CID 119922769

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1cccc(OCCN(C)C2CCNC2)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-12-4-3-5-14(10-12)17-9-8-16(2)13-6-7-15-11-13;/h3-5,10,13,15H,6-9,11H2,1-2H3;1H
InChIKeyXZZZAAYCSJTYRI-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.09
Rot. Bonds5

About N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride

N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119922769) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119922769
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCc1cccc(OCCN(C)C2CCNC2)c1.Cl
InChIInChI=1S/C14H22N2O.ClH/c1-12-4-3-5-14(10-12)17-9-8-16(2)13-6-7-15-11-13;/h3-5,10,13,15H,6-9,11H2,1-2H3;1H
InChIKeyXZZZAAYCSJTYRI-UHFFFAOYSA-N
XLogP2.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
4-[2-[methyl(pyrrolidin-3-yl)amino]ethoxy]benzonitrile
CID 55173155
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
CID 62675082
2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
CID 60802291
N-methyl-N-[2-(4-methylphenoxy)ethyl]piperidin-4-amine
CID 43607235
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
CID 79731504

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride (CID 119922769) is N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride is Cc1cccc(OCCN(C)C2CCNC2)c1.Cl.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is XZZZAAYCSJTYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.ClH/c1-12-4-3-5-14(10-12)17-9-8-16(2)13-6-7-15-11-13;/h3-5,10,13,15H,6-9,11H2,1-2H3;1H.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 270.80 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119922769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).