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

C15H17ClN2O — CID 62297313

IUPACN-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2O/c1-11(2)18-10-12-7-8-17-15(9-12)19-14-5-3-13(16)4-6-14/h3-9,11,18H,10H2,1-2H3
InChIKeyILOZKRZCCQFWOC-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.03
Rot. Bonds5

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

N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62297313) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62297313
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC NameN-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2O/c1-11(2)18-10-12-7-8-17-15(9-12)19-14-5-3-13(16)4-6-14/h3-9,11,18H,10H2,1-2H3
InChIKeyILOZKRZCCQFWOC-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-[[2-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 62288406
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62296745
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282998
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993
2-[2-(4-chlorophenoxy)-4-pyridinyl]ethanamine
CID 141407855
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
N-[(2-pentoxy-4-pyridinyl)methyl]propan-2-amine
CID 55058687
N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296075

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 62297313) is N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is ILOZKRZCCQFWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-11(2)18-10-12-7-8-17-15(9-12)19-14-5-3-13(16)4-6-14/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(4-chlorophenoxy)-4-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-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62297313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).