5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

C13H20Cl2N2 — CID 114920954

IUPAC5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1cc(CCl)c(Cl)cn1)C(C)C
InChIInChI=1S/C13H20Cl2N2/c1-9(2)8-17(10(3)4)13-5-11(6-14)12(15)7-16-13/h5,7,9-10H,6,8H2,1-4H3
InChIKeyUODAEYVCQVYFEN-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.34
Rot. Bonds5

About 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine

5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 114920954) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
PubChem CID114920954
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)CN(c1cc(CCl)c(Cl)cn1)C(C)C
InChIInChI=1S/C13H20Cl2N2/c1-9(2)8-17(10(3)4)13-5-11(6-14)12(15)7-16-13/h5,7,9-10H,6,8H2,1-4H3
InChIKeyUODAEYVCQVYFEN-UHFFFAOYSA-N
XLogP4.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-(chloromethyl)-N-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 114920911
4-chloro-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114846541
5-chloro-4-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 114920964
5-(chloromethyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81235646
5-chloro-4-(chloromethyl)-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 114921107
[5-chloro-2-[propan-2-yl(propyl)amino]-4-pyridinyl]methanol
CID 114920224
5-bromo-2-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63541934
5-chloro-4-(chloromethyl)-N-methyl-N-propylpyridin-2-amine
CID 114920828
5-(aminomethyl)-3-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 62285526
N'-[4-(aminomethyl)-5-chloro-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 114925738
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 83073442
N-[2-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 114921341

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine (CID 114920954) is 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is CC(C)CN(c1cc(CCl)c(Cl)cn1)C(C)C.
What is the InChIKey of 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is UODAEYVCQVYFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-9(2)8-17(10(3)4)13-5-11(6-14)12(15)7-16-13/h5,7,9-10H,6,8H2,1-4H3.
What are the key properties of 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine?
5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 275.22 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114920954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).