1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

C14H22Cl2N2 — CID 120842701

IUPAC1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1Cc1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2.ClH/c1-11-5-6-12(8-14(11)15)10-17-7-3-4-13(17)9-16-2;/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3;1H
InChIKeyXAVFPGSEAPZTJL-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.25
Rot. Bonds4

About 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride

1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120842701) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
PubChem CID120842701
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCCN1Cc1ccc(C)c(Cl)c1.Cl
InChIInChI=1S/C14H21ClN2.ClH/c1-11-5-6-12(8-14(11)15)10-17-7-3-4-13(17)9-16-2;/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3;1H
InChIKeyXAVFPGSEAPZTJL-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
1-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490906
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115316039
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 106818951
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]benzamide;hydrochloride
CID 119928553
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316184
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 103038258

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride (CID 120842701) is 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is CNCC1CCCN1Cc1ccc(C)c(Cl)c1.Cl.
What is the InChIKey of 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is XAVFPGSEAPZTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2.ClH/c1-11-5-6-12(8-14(11)15)10-17-7-3-4-13(17)9-16-2;/h5-6,8,13,16H,3-4,7,9-10H2,1-2H3;1H.
What are the key properties of 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride?
1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 289.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120842701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).