N,N-dibenzyl-6-chloropyridin-2-amine

C19H17ClN2 — CID 130159096

IUPACN,N-dibenzyl-6-chloropyridin-2-amine
SMILESClc1cccc(N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C19H17ClN2/c20-18-12-7-13-19(21-18)22(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKeyUIPYRFFVSHGFSP-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.94
Rot. Bonds5

About N,N-dibenzyl-6-chloropyridin-2-amine

N,N-dibenzyl-6-chloropyridin-2-amine (PubChem CID 130159096) has the molecular formula C19H17ClN2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N,N-dibenzyl-6-chloropyridin-2-amine.

Molecular Properties

Compound NameN,N-dibenzyl-6-chloropyridin-2-amine
PubChem CID130159096
Molecular FormulaC19H17ClN2
Molecular Weight308.81 g/mol
Exact Mass308.11
IUPAC NameN,N-dibenzyl-6-chloropyridin-2-amine
SMILESClc1cccc(N(Cc2ccccc2)Cc2ccccc2)n1
InChIInChI=1S/C19H17ClN2/c20-18-12-7-13-19(21-18)22(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2
InChIKeyUIPYRFFVSHGFSP-UHFFFAOYSA-N
XLogP4.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-6-chloropyrimidin-4-amine
CID 130157763
2-[(6-chloro-2-pyridinyl)-(cyanomethyl)amino]acetonitrile
CID 63588583
6-[benzyl(2-hydroxyethyl)amino]pyridine-2-carbothioamide
CID 64593716
6-chloro-N-ethyl-N-(2-methylpropyl)pyridin-2-amine
CID 63588786
N-benzyl-6-chloro-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715332
6-N-benzyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80753536
5-(dibenzylamino)pyrazine-2-carboxamide
CID 69290218
N,N-dibenzylaniline
CID 139071697
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
6-(6-chloro-2-pyridinyl)-N,N-dipropylpyridin-2-amine
CID 10684888
2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
CID 62890775
2-[(6-chloro-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 63587654

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-6-chloropyridin-2-amine?
The IUPAC name of N,N-dibenzyl-6-chloropyridin-2-amine (CID 130159096) is N,N-dibenzyl-6-chloropyridin-2-amine.
What is the SMILES notation for N,N-dibenzyl-6-chloropyridin-2-amine?
The canonical SMILES for N,N-dibenzyl-6-chloropyridin-2-amine is Clc1cccc(N(Cc2ccccc2)Cc2ccccc2)n1.
What is the InChIKey of N,N-dibenzyl-6-chloropyridin-2-amine?
The InChIKey is UIPYRFFVSHGFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2/c20-18-12-7-13-19(21-18)22(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13H,14-15H2.
What are the key properties of N,N-dibenzyl-6-chloropyridin-2-amine?
N,N-dibenzyl-6-chloropyridin-2-amine has a molecular weight of 308.81 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-6-chloropyridin-2-amine is sourced from PubChem (CID 130159096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).