N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine

C16H19ClN2O — CID 62298102

IUPACN-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Oc2cccc(CNC(C)C)n2)ccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)18-10-13-5-4-6-16(19-13)20-14-7-8-15(17)12(3)9-14/h4-9,11,18H,10H2,1-3H3
InChIKeyNWGZJHFFLRGJHZ-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.33
Rot. Bonds5

About N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62298102) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62298102
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(Oc2cccc(CNC(C)C)n2)ccc1Cl
InChIInChI=1S/C16H19ClN2O/c1-11(2)18-10-13-5-4-6-16(19-13)20-14-7-8-15(17)12(3)9-14/h4-9,11,18H,10H2,1-3H3
InChIKeyNWGZJHFFLRGJHZ-UHFFFAOYSA-N
XLogP4.33
TPSA34.15 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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
N-[[6-(4-ethoxyphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62296382
N,N-dimethyl-3-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]aniline
CID 62322084
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
CID 13175431
N-[[6-(2-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298078
N-[[6-(3,4-dichlorophenoxy)pyridazin-3-yl]methyl]propan-2-amine
CID 62322260
N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
CID 11545437

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62298102) is N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine is Cc1cc(Oc2cccc(CNC(C)C)n2)ccc1Cl.
What is the InChIKey of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is NWGZJHFFLRGJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)18-10-13-5-4-6-16(19-13)20-14-7-8-15(17)12(3)9-14/h4-9,11,18H,10H2,1-3H3.
What are the key properties of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62298102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).