N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H19ClN2O — CID 105075399

IUPACN-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1Oc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-19-10-13-6-7-18-11-16(13)20-15-5-3-4-14(17)8-15/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyRKZAQKWKYWOPBX-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.27
Rot. Bonds6

About N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105075399) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105075399
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1Oc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-12(2)9-19-10-13-6-7-18-11-16(13)20-15-5-3-4-14(17)8-15/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyRKZAQKWKYWOPBX-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-[[3-(3-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075392
N-[[3-(3-fluoro-4-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107170646
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-1-amine
CID 64600243
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
N-[[3-(5-bromo-2-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107285678
N-[[3-(4-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105075484
N-[[4-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 83138141
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441
N-[(3-chloro-4-pyridin-3-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 81155490
N-[[4-[(5-bromo-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 81250685

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105075399) is N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccncc1Oc1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is RKZAQKWKYWOPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(2)9-19-10-13-6-7-18-11-16(13)20-15-5-3-4-14(17)8-15/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of N-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3-chlorophenoxy)-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-[[3-(3-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105075399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).