2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine

C16H19ClN2O — CID 115984821

IUPAC2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(N)Cc2ccncc2Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-14-5-3-4-13(8-14)16(18)9-12-6-7-19-10-15(12)17/h3-8,10-11,16H,9,18H2,1-2H3
InChIKeyBKNUKYGYPWLOQF-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.76
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 115984821) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID115984821
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(N)Cc2ccncc2Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-14-5-3-4-13(8-14)16(18)9-12-6-7-19-10-15(12)17/h3-8,10-11,16H,9,18H2,1-2H3
InChIKeyBKNUKYGYPWLOQF-UHFFFAOYSA-N
XLogP3.76
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
CID 112655522
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
1-(3-chloro-4-pyridinyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105171386
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-amine
CID 104845244
(4-methyl-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanamine
CID 114877931
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 112655443
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
2-(3-fluorophenyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 62919131
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105019640
1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 79016250
2-(2,6-dichlorophenyl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 65145651

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 115984821) is 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cccc(C(N)Cc2ccncc2Cl)c1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is BKNUKYGYPWLOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)20-14-5-3-4-13(8-14)16(18)9-12-6-7-19-10-15(12)17/h3-8,10-11,16H,9,18H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 115984821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).