1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine

C14H21ClN2O2 — CID 62513534

IUPAC1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C14H21ClN2O2/c1-16-8-10-4-5-17(9-10)12-7-13(18-2)11(15)6-14(12)19-3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyJCZYFDHCBBTPLH-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.40
Rot. Bonds5

About 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine

1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 62513534) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID62513534
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2cc(OC)c(Cl)cc2OC)C1
InChIInChI=1S/C14H21ClN2O2/c1-16-8-10-4-5-17(9-10)12-7-13(18-2)11(15)6-14(12)19-3/h6-7,10,16H,4-5,8-9H2,1-3H3
InChIKeyJCZYFDHCBBTPLH-UHFFFAOYSA-N
XLogP2.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chloro-2-methoxy-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512560
1-(4-chloro-2,5-dimethoxyphenyl)-N-methylazetidin-3-amine
CID 117002959
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859
1-[1-(4-bromo-2,6-dichlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62512255
1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methylpropyl)piperazine
CID 64923704
1-[1-(2-bromo-3-chlorophenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 103480332
N-methyl-1-[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 62816102
N-[[1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55082717
N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62513267
1-(5-chloro-2,4-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 60861288

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine (CID 62513534) is 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2cc(OC)c(Cl)cc2OC)C1.
What is the InChIKey of 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is JCZYFDHCBBTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-16-8-10-4-5-17(9-10)12-7-13(18-2)11(15)6-14(12)19-3/h6-7,10,16H,4-5,8-9H2,1-3H3.
What are the key properties of 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 284.79 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-2,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62513534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).