N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine

C14H17ClN2OS — CID 106048859

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2OS/c1-10(2)18-12-4-3-8-16-14(12)17-9-7-11-5-6-13(15)19-11/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyWYCDZQUAVRKRKJ-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.24
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine (PubChem CID 106048859) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
PubChem CID106048859
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
SMILESCC(C)Oc1cccnc1NCCc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN2OS/c1-10(2)18-12-4-3-8-16-14(12)17-9-7-11-5-6-13(15)19-11/h3-6,8,10H,7,9H2,1-2H3,(H,16,17)
InChIKeyWYCDZQUAVRKRKJ-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yloxy-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 113450392
1-N-(3-propan-2-yloxy-2-pyridinyl)pentane-1,4-diamine
CID 106127389
N-[2-(1-methylpyrazol-3-yl)ethyl]-3-propan-2-yloxypyridin-2-amine
CID 106105523
N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-yloxypyridin-2-amine
CID 102914136
N-[(4-ethylphenyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106900068
N,N-dimethyl-2-[(3-propan-2-yloxy-2-pyridinyl)amino]ethanesulfonamide
CID 106338931
3-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 114169605
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106038517
6-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylpyridazin-3-amine
CID 106038485
5-(1-chloroethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106052182
3-ethyl-1-[(3-propan-2-yloxy-2-pyridinyl)amino]pentan-2-ol
CID 106287839
5-bromo-4-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106042391

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine (CID 106048859) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine is CC(C)Oc1cccnc1NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine?
The InChIKey is WYCDZQUAVRKRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-10(2)18-12-4-3-8-16-14(12)17-9-7-11-5-6-13(15)19-11/h3-6,8,10H,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine has a molecular weight of 296.82 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-propan-2-yloxypyridin-2-amine is sourced from PubChem (CID 106048859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).