2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine

C13H21ClN2O — CID 64600457

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1cncc(Cl)c1)C(C)C
InChIInChI=1S/C13H21ClN2O/c1-9(2)13(8-16-10(3)4)17-12-5-11(14)6-15-7-12/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeyHKTYXHUTYXHJFS-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.14
Rot. Bonds6

About 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine

2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 64600457) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID64600457
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(Oc1cncc(Cl)c1)C(C)C
InChIInChI=1S/C13H21ClN2O/c1-9(2)13(8-16-10(3)4)17-12-5-11(14)6-15-7-12/h5-7,9-10,13,16H,8H2,1-4H3
InChIKeyHKTYXHUTYXHJFS-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62459363
3-chloro-5-(1-pyrrolidin-1-ylethoxy)pyridine;dihydrochloride
CID 23223043
2-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 102747422
2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 70661909
3-[(1S)-1-(azetidin-2-yl)-2-methylpropoxy]-5-chloropyridine
CID 68554858
N-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]-1-methoxypropan-2-amine
CID 64601439
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
3-methyl-N-propan-2-yl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 63496827
2-(2,4-difluorophenoxy)-3-methyl-N-propan-2-ylbutan-1-amine
CID 62449645
2-(3,4-dichlorophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 55076972
1-[(5-chloro-3-pyridinyl)oxy]-1-(2-methylphenyl)propan-2-amine
CID 64602513
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine (CID 64600457) is 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(Oc1cncc(Cl)c1)C(C)C.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is HKTYXHUTYXHJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-9(2)13(8-16-10(3)4)17-12-5-11(14)6-15-7-12/h5-7,9-10,13,16H,8H2,1-4H3.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 256.78 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64600457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).