1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine

C16H19ClN2O — CID 114321819

IUPAC1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCCc1ccncc1
InChIInChI=1S/C16H19ClN2O/c1-12(18)11-14-15(17)3-2-4-16(14)20-10-7-13-5-8-19-9-6-13/h2-6,8-9,12H,7,10-11,18H2,1H3
InChIKeyWCVXVMUQPXKGHS-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.25
Rot. Bonds6

About 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine

1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine (PubChem CID 114321819) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
PubChem CID114321819
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCCc1ccncc1
InChIInChI=1S/C16H19ClN2O/c1-12(18)11-14-15(17)3-2-4-16(14)20-10-7-13-5-8-19-9-6-13/h2-6,8-9,12H,7,10-11,18H2,1H3
InChIKeyWCVXVMUQPXKGHS-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 54930799
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
1-[2-chloro-6-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 114321854
1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one
CID 82899534
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
CID 114322554
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine (CID 114321819) is 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine is CC(N)Cc1c(Cl)cccc1OCCc1ccncc1.
What is the InChIKey of 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
The InChIKey is WCVXVMUQPXKGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(18)11-14-15(17)3-2-4-16(14)20-10-7-13-5-8-19-9-6-13/h2-6,8-9,12H,7,10-11,18H2,1H3.
What are the key properties of 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114321819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).