N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine

C16H19ClN2O — CID 62297574

IUPACN-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2ccc(Cl)c(C)c2)ccn1
InChIInChI=1S/C16H19ClN2O/c1-3-7-18-11-13-10-15(6-8-19-13)20-14-4-5-16(17)12(2)9-14/h4-6,8-10,18H,3,7,11H2,1-2H3
InChIKeySNONJAWLHKFBKD-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.34
Rot. Bonds6

About N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 62297574) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID62297574
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Oc2ccc(Cl)c(C)c2)ccn1
InChIInChI=1S/C16H19ClN2O/c1-3-7-18-11-13-10-15(6-8-19-13)20-14-4-5-16(17)12(2)9-14/h4-6,8-10,18H,3,7,11H2,1-2H3
InChIKeySNONJAWLHKFBKD-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 83134272
N-[[4-[3-(methoxymethyl)phenoxy]-2-pyridinyl]methyl]propan-1-amine
CID 63984828
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344
N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82718553
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-[[4-(3,5-difluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62786202
N-[[4-(4-chlorophenoxy)-2-methylphenyl]methyl]propan-1-amine
CID 63552365
[4-(3,4-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62297494
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
4-(4-chloro-3-methylphenoxy)pyridine-2-carbonitrile
CID 62937631

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine (CID 62297574) is N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(Oc2ccc(Cl)c(C)c2)ccn1.
What is the InChIKey of N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is SNONJAWLHKFBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-7-18-11-13-10-15(6-8-19-13)20-14-4-5-16(17)12(2)9-14/h4-6,8-10,18H,3,7,11H2,1-2H3.
What are the key properties of N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 62297574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).