[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C14H22Cl2N2O — CID 120967311

IUPAC[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(Cl)c(CN2CCC(C)(CN)C2)c1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-14(9-16)5-6-17(10-14)8-11-7-12(18-2)3-4-13(11)15;/h3-4,7H,5-6,8-10,16H2,1-2H3;1H
InChIKeyVSCAIGYWUDIRDQ-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.94
Rot. Bonds4

About [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120967311) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120967311
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCOc1ccc(Cl)c(CN2CCC(C)(CN)C2)c1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-14(9-16)5-6-17(10-14)8-11-7-12(18-2)3-4-13(11)15;/h3-4,7H,5-6,8-10,16H2,1-2H3;1H
InChIKeyVSCAIGYWUDIRDQ-UHFFFAOYSA-N
XLogP2.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967312
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
[1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 114082076
[1-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780544
[3-methyl-1-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120780660
2-[(2-chloro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120966878
[1-[(5-chloro-2-fluorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781196
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
[1-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781185
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557
[3-methyl-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772784
[1-[(2-methoxy-4-phenylphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780442

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120967311) is [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is COc1ccc(Cl)c(CN2CCC(C)(CN)C2)c1.Cl.
What is the InChIKey of [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is VSCAIGYWUDIRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-14(9-16)5-6-17(10-14)8-11-7-12(18-2)3-4-13(11)15;/h3-4,7H,5-6,8-10,16H2,1-2H3;1H.
What are the key properties of [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-5-methoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120967311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).