N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C17H21ClN2O — CID 62322546

IUPACN-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C17H21ClN2O/c1-12-9-13(18)5-6-16(12)21-15-7-8-19-14(10-15)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyPJIGLHLTYDQYIC-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.72
Rot. Bonds4

About N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62322546) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62322546
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(Cl)ccc1Oc1ccnc(CNC(C)(C)C)c1
InChIInChI=1S/C17H21ClN2O/c1-12-9-13(18)5-6-16(12)21-15-7-8-19-14(10-15)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3
InChIKeyPJIGLHLTYDQYIC-UHFFFAOYSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62322372
N-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 64602361
1-[4-(2,5-dichlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298312
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553311
N-[[4-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62295672
N-[[4-chloro-2-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114855553
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454
N-[[6-(2,4-dichlorophenoxy)pyridazin-3-yl]methyl]-2-methylpropan-2-amine
CID 62323581
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755
N-[[4-(3-chlorophenoxy)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63552934
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62322546) is N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is Cc1cc(Cl)ccc1Oc1ccnc(CNC(C)(C)C)c1.
What is the InChIKey of N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PJIGLHLTYDQYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-9-13(18)5-6-16(12)21-15-7-8-19-14(10-15)11-20-17(2,3)4/h5-10,20H,11H2,1-4H3.
What are the key properties of N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 304.82 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-2-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62322546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).