1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

C14H22Cl2N2O — CID 119922028

IUPAC1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(Cl)ccc2OC)C1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-16-8-11-5-6-17(9-11)10-12-7-13(15)3-4-14(12)18-2;/h3-4,7,11,16H,5-6,8-10H2,1-2H3;1H
InChIKeyOGTDUJHJWSENRB-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.81
Rot. Bonds5

About 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride

1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 119922028) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID119922028
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(Cc2cc(Cl)ccc2OC)C1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-16-8-11-5-6-17(9-11)10-12-7-13(15)3-4-14(12)18-2;/h3-4,7,11,16H,5-6,8-10H2,1-2H3;1H
InChIKeyOGTDUJHJWSENRB-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838415
4-chloro-2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 55167509
1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914801
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864
1-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922302
3-[(5-chloro-2-methoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927486
1-[1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55168856
1-[(5-chloro-2-methoxyphenyl)methyl]azetidin-3-amine
CID 63761103
1-[1-[(2-methoxy-5-nitrophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922573
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
1-[4-methoxy-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 63248941

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride (CID 119922028) is 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(Cc2cc(Cl)ccc2OC)C1.Cl.
What is the InChIKey of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is OGTDUJHJWSENRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-16-8-11-5-6-17(9-11)10-12-7-13(15)3-4-14(12)18-2;/h3-4,7,11,16H,5-6,8-10H2,1-2H3;1H.
What are the key properties of 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 119922028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).