N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine

C13H18ClF3N2 — CID 114145631

IUPACN-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCC(CCCl)CNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H18ClF3N2/c1-2-4-10(7-8-14)9-18-12-6-3-5-11(19-12)13(15,16)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19)
InChIKeyBNVSKRSDUUQDEF-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.56
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine

N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 114145631) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID114145631
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC NameN-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCCCC(CCCl)CNc1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H18ClF3N2/c1-2-4-10(7-8-14)9-18-12-6-3-5-11(19-12)13(15,16)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19)
InChIKeyBNVSKRSDUUQDEF-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloroethyl)pentyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106117408
N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
CID 106117297
1,1,1-trifluoro-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 113228906
N-octyl-6-(trifluoromethyl)pyridin-2-amine
CID 115568965
N-[[4-(chloromethyl)phenyl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 107233089
1-[6-(trifluoromethyl)-2-pyridinyl]butylazanium
CID 76787438
N-(1-chloro-3-methylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 79267996
6-[2-(2-hydroxyethyl)pentylamino]pyridine-2-carboxylic acid
CID 114145368
1-methoxy-4-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 103875643
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
CID 106117265
2-[[6-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 51063993
N-(1-chloro-3-methoxypropan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 106181325

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine (CID 114145631) is N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine is CCCC(CCCl)CNc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BNVSKRSDUUQDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2/c1-2-4-10(7-8-14)9-18-12-6-3-5-11(19-12)13(15,16)17/h3,5-6,10H,2,4,7-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 294.75 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 114145631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).