N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine

C16H19ClN2O — CID 106862466

IUPACN-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCc1ccc(CNc2cccnc2OC(C)C)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-16-15(5-4-8-18-16)19-10-13-7-6-12(3)9-14(13)17/h4-9,11,19H,10H2,1-3H3
InChIKeyAVFDDOGIZXEADM-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.44
Rot. Bonds5

About N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine

N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 106862466) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID106862466
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine
SMILESCc1ccc(CNc2cccnc2OC(C)C)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-11(2)20-16-15(5-4-8-18-16)19-10-13-7-6-12(3)9-14(13)17/h4-9,11,19H,10H2,1-3H3
InChIKeyAVFDDOGIZXEADM-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 102615560
N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721777
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-[(2,4-dichlorophenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706260
N-ethyl-2-propan-2-yloxypyridin-3-amine
CID 61374229
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61373876
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375572
N-[(2-chloro-4-methylphenyl)methyl]pyridin-2-amine
CID 129211808
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
N-[(3-methylthiophen-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 61375574
4-chloro-2-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzene-1,2-diamine
CID 115468707
2-methoxy-6-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]phenol
CID 61375585

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine (CID 106862466) is N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine is Cc1ccc(CNc2cccnc2OC(C)C)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is AVFDDOGIZXEADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-11(2)20-16-15(5-4-8-18-16)19-10-13-7-6-12(3)9-14(13)17/h4-9,11,19H,10H2,1-3H3.
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine?
N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 290.79 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 106862466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).