N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine

C14H21ClN2O — CID 62513267

IUPACN-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(OC)ccc2Cl)C1
InChIInChI=1S/C14H21ClN2O/c1-3-16-9-11-6-7-17(10-11)14-8-12(18-2)4-5-13(14)15/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyIANRYPHVBNVCTM-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.78
Rot. Bonds5

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

N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62513267) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62513267
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(OC)ccc2Cl)C1
InChIInChI=1S/C14H21ClN2O/c1-3-16-9-11-6-7-17(10-11)14-8-12(18-2)4-5-13(14)15/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyIANRYPHVBNVCTM-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792843
N-[[1-(5-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 62914683
N-[[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120966398
N-[[1-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792830
N-[[1-(2-chloro-5-methylphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636404
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146
N-[[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63363167
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 65322923
N-[[1-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512555
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]ethanamine
CID 66475846
N-[(2-chlorophenyl)methyl]-1-[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 97000762
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine (CID 62513267) is N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(c2cc(OC)ccc2Cl)C1.
What is the InChIKey of N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is IANRYPHVBNVCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-16-9-11-6-7-17(10-11)14-8-12(18-2)4-5-13(14)15/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloro-5-methoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62513267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).