N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine

C15H17ClN2O — CID 62323756

IUPACN-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H17ClN2O/c1-11(2)18-10-13-9-15(6-7-17-13)19-14-5-3-4-12(16)8-14/h3-9,11,18H,10H2,1-2H3
InChIKeyLKYPTVYQGUPFAM-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.03
Rot. Bonds5

About N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62323756) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62323756
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Oc2cccc(Cl)c2)ccn1
InChIInChI=1S/C15H17ClN2O/c1-11(2)18-10-13-9-15(6-7-17-13)19-14-5-3-4-12(16)8-14/h3-9,11,18H,10H2,1-2H3
InChIKeyLKYPTVYQGUPFAM-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
N-[[4-(4-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297273
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62295672
N-[[4-(2-phenoxyethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62290181
N-[[4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62287531
N-[[4-[(3-methoxyphenyl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 62288971
N-[[4-(1,3-benzodioxol-5-yloxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296181
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
1-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]-3-(oxetan-3-yl)urea
CID 167809717
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 104566433
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62323756) is N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cc(Oc2cccc(Cl)c2)ccn1.
What is the InChIKey of N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is LKYPTVYQGUPFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(2)18-10-13-9-15(6-7-17-13)19-14-5-3-4-12(16)8-14/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 276.77 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62323756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).