N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine

C16H19ClN2O — CID 81155490

IUPACN-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-19-10-13-5-6-16(15(17)8-13)20-14-4-3-7-18-11-14/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyFBZJDDJMMIGIPO-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.27
Rot. Bonds6

About N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine

N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 81155490) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID81155490
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2cccnc2)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-19-10-13-5-6-16(15(17)8-13)20-14-4-3-7-18-11-14/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyFBZJDDJMMIGIPO-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-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 81145933
N-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 132843627
1-(3-chloro-4-pyridin-3-yloxyphenyl)-N-methylethanamine
CID 62912252
N-[[4-fluoro-3-(pyridin-3-yloxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457193
N-[(3-chloro-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54038698
2-methyl-N-[(2-methyl-4-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 63072149
N-[[3-chloro-4-(ethoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 65369848
3-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]propan-1-ol
CID 63056516
N-[[5-chloro-6-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601599
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075399
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]butanoic acid
CID 64667928

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine (CID 81155490) is N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Oc2cccnc2)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is FBZJDDJMMIGIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(2)9-19-10-13-5-6-16(15(17)8-13)20-14-4-3-7-18-11-14/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(3-chloro-4-pyridin-3-yloxyphenyl)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-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81155490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).