N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine

C15H23ClN2O — CID 66321851

IUPACN-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(2)17-8-13-7-14(16)15(18-9-13)19-10-12-5-3-4-6-12/h7,9,11-12,17H,3-6,8,10H2,1-2H3
InChIKeyCYSIEFZMKNGFSX-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.80
Rot. Bonds6

About N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 66321851) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine
PubChem CID66321851
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCC2CCCC2)c(Cl)c1
InChIInChI=1S/C15H23ClN2O/c1-11(2)17-8-13-7-14(16)15(18-9-13)19-10-12-5-3-4-6-12/h7,9,11-12,17H,3-6,8,10H2,1-2H3
InChIKeyCYSIEFZMKNGFSX-UHFFFAOYSA-N
XLogP3.80
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-2-(propan-2-yloxy)-5-(trifluoromethyl)pyridine
CID 2386954
US11045457, Example 82
CID 146402255
Ethanethiol, 2-(5-(3,5-dichloro-2-pyridyloxy)pentyl)amino-, hydrochloride
CID 218795
2-((3,5-Dichloropyridin-2-yl)oxy)ethan-1-amine hydrochloride
CID 71756220
(5-Chloro-2-methoxypyridin-3-yl)methanamine
CID 84021902
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}propan-1-amine
CID 13604415
2-(2-Aminoethoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 54595060
4-[(3-Chloropyridin-2-yl)oxy]cyclohexan-1-amine
CID 62807060
2-(2-Aminoethoxy)-3-chloro-5-(trifluoromethyl)pyridine hydrochloride
CID 54595059
1-((3,5-Dichloropyridin-2-yl)oxy)-2-methylpropan-2-amine hydrochloride
CID 71756744
2-(2-Amino-2-methylbutoxy)-3-chloropyridine hydrochloride
CID 71756745
3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)propan-1-amine hydrochloride
CID 71757347

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine (CID 66321851) is N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnc(OCC2CCCC2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is CYSIEFZMKNGFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11(2)17-8-13-7-14(16)15(18-9-13)19-10-12-5-3-4-6-12/h7,9,11-12,17H,3-6,8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 282.81 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(cyclopentylmethoxy)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 66321851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).