1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine

C16H19ClN2O — CID 81160757

IUPAC1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-13(18)8-12-5-7-16(15(17)9-12)20-14-6-4-11(2)19-10-14/h4-7,9-10,13H,3,8,18H2,1-2H3
InChIKeyBTZTXCNZEYGWCF-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.12
Rot. Bonds5

About 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine

1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine (PubChem CID 81160757) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
PubChem CID81160757
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2ccc(C)nc2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-13(18)8-12-5-7-16(15(17)9-12)20-14-6-4-11(2)19-10-14/h4-7,9-10,13H,3,8,18H2,1-2H3
InChIKeyBTZTXCNZEYGWCF-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550
(1S)-1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938383
1-[3-chloro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804291
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 81152126
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]butan-2-amine
CID 81160055
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
1-[3-chloro-4-(methoxymethoxy)phenyl]butan-2-amine
CID 65364855
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020493
1-[3-chloro-4-(2,4-dibromophenoxy)phenyl]butan-2-amine
CID 81160657
1-[3-chloro-4-(2-ethylphenoxy)phenyl]butan-2-amine
CID 81160068

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine (CID 81160757) is 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine is CCC(N)Cc1ccc(Oc2ccc(C)nc2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine?
The InChIKey is BTZTXCNZEYGWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-13(18)8-12-5-7-16(15(17)9-12)20-14-6-4-11(2)19-10-14/h4-7,9-10,13H,3,8,18H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine?
1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine is sourced from PubChem (CID 81160757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).