[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine

C12H16Cl2N2 — CID 62069136

IUPAC[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H16Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-5-4-9(6-15)7-16/h1-3,9H,4-8,15H2
InChIKeyBNTIGJUUMQFLME-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.77
Rot. Bonds3

About [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 62069136) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID62069136
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(Cc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H16Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-5-4-9(6-15)7-16/h1-3,9H,4-8,15H2
InChIKeyBNTIGJUUMQFLME-UHFFFAOYSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154906521
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063405
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591510
3-(chloromethyl)-1-[(2,3-dichlorophenyl)methyl]pyrrolidine
CID 107309985
3-bromo-1-[(2,6-dichlorophenyl)methyl]-4-methylpiperidine
CID 102960502
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
(1-benzylazepan-3-yl)methanamine
CID 15718476
2-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N,N-dimethylethanamine
CID 60543116

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine (CID 62069136) is [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine is NCC1CCN(Cc2c(Cl)cccc2Cl)C1.
What is the InChIKey of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is BNTIGJUUMQFLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-5-4-9(6-15)7-16/h1-3,9H,4-8,15H2.
What are the key properties of [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 259.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62069136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).