N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine

C16H19ClN2O — CID 114928222

IUPACN-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Oc2ccccc2)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-18-10-13-8-16(19-11-15(13)17)20-14-6-4-3-5-7-14/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyGPGCJWKHAPYHLM-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.27
Rot. Bonds6

About N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine

N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine (PubChem CID 114928222) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
PubChem CID114928222
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Oc2ccccc2)ncc1Cl
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-18-10-13-8-16(19-11-15(13)17)20-14-6-4-3-5-7-14/h3-8,11-12,18H,9-10H2,1-2H3
InChIKeyGPGCJWKHAPYHLM-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-bromophenoxy)-5-chloro-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928291
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694
N-[[5-chloro-2-(thiophen-2-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928566
N-[[5-chloro-2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927846
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[[5-chloro-2-(2-thiophen-2-ylethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928581
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114928598
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
N-[[5-chloro-2-(2-methylcyclohexyl)oxy-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927656

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine (CID 114928222) is N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Oc2ccccc2)ncc1Cl.
What is the InChIKey of N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
The InChIKey is GPGCJWKHAPYHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(2)9-18-10-13-8-16(19-11-15(13)17)20-14-6-4-3-5-7-14/h3-8,11-12,18H,9-10H2,1-2H3.
What are the key properties of N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine?
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine has a molecular weight of 290.79 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114928222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).