N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine

C14H20Cl2N2 — CID 55092410

IUPACN-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-17-9-11-5-4-8-18(11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyLWDZXBRVVZMPLN-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds5

About N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine

N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 55092410) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
PubChem CID55092410
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-2-17-9-11-5-4-8-18(11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3
InChIKeyLWDZXBRVVZMPLN-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-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-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 62581616
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
N-[[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62580892
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
N-[[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62580541
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
N-[[1-(pyridin-3-ylmethyl)piperidin-2-yl]methyl]ethanamine
CID 62582196
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 104792400

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine (CID 55092410) is N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is LWDZXBRVVZMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-17-9-11-5-4-8-18(11)10-12-13(15)6-3-7-14(12)16/h3,6-7,11,17H,2,4-5,8-10H2,1H3.
What are the key properties of N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 55092410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).