N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine

C14H20Cl2N2 — CID 55204961

IUPACN-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1c(Cl)cccc1Cl)C1CCNC1
InChIInChI=1S/C14H20Cl2N2/c1-2-8-18(11-6-7-17-9-11)10-12-13(15)4-3-5-14(12)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyVYAFIRLQGCBIEB-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds5

About N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine

N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine (PubChem CID 55204961) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
PubChem CID55204961
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1c(Cl)cccc1Cl)C1CCNC1
InChIInChI=1S/C14H20Cl2N2/c1-2-8-18(11-6-7-17-9-11)10-12-13(15)4-3-5-14(12)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyVYAFIRLQGCBIEB-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

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-N-ethylpiperidin-3-amine
CID 63643457
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759
N-[(2,3-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 58624352
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2,6-dichlorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66182519
N-[(2-ethylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300786
3-[[propyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63301041
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
N-(2,6-dichlorophenyl)-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 119921476
N-[(4-methylphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300569
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-propylpyrrolidin-3-amine
CID 116519800
3-chloro-2-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 114321079

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine (CID 55204961) is N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1c(Cl)cccc1Cl)C1CCNC1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is VYAFIRLQGCBIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-8-18(11-6-7-17-9-11)10-12-13(15)4-3-5-14(12)16/h3-5,11,17H,2,6-10H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine?
N-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine 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-[(2,6-dichlorophenyl)methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 55204961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).