1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine

C15H17ClN2O — CID 63815743

IUPAC1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1Oc1cccnc1
InChIInChI=1S/C15H17ClN2O/c1-2-11(17)9-13-14(16)6-3-7-15(13)19-12-5-4-8-18-10-12/h3-8,10-11H,2,9,17H2,1H3
InChIKeyZJBVUYKETPTTMZ-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine

1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine (PubChem CID 63815743) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
PubChem CID63815743
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1Oc1cccnc1
InChIInChI=1S/C15H17ClN2O/c1-2-11(17)9-13-14(16)6-3-7-15(13)19-12-5-4-8-18-10-12/h3-8,10-11H,2,9,17H2,1H3
InChIKeyZJBVUYKETPTTMZ-UHFFFAOYSA-N
XLogP3.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 43283704
1-[2-(3-bromo-4-fluorophenoxy)-6-chlorophenyl]butan-2-amine
CID 83232907
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
ethyl 2-[2-(2-aminobutyl)-3-chlorophenoxy]propanoate
CID 114322013
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 114321984

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine?
The IUPAC name of 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine (CID 63815743) is 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine?
The canonical SMILES for 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine is CCC(N)Cc1c(Cl)cccc1Oc1cccnc1.
What is the InChIKey of 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine?
The InChIKey is ZJBVUYKETPTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-2-11(17)9-13-14(16)6-3-7-15(13)19-12-5-4-8-18-10-12/h3-8,10-11H,2,9,17H2,1H3.
What are the key properties of 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine?
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine is sourced from PubChem (CID 63815743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).