N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine

C15H16Cl2N2O — CID 105075167

IUPACN-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10(2)19-8-11-6-7-18-9-14(11)20-13-5-3-4-12(16)15(13)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeySPBGYVHNWCMDIR-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.68
Rot. Bonds5

About N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105075167) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105075167
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1Oc1cccc(Cl)c1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-10(2)19-8-11-6-7-18-9-14(11)20-13-5-3-4-12(16)15(13)17/h3-7,9-10,19H,8H2,1-2H3
InChIKeySPBGYVHNWCMDIR-UHFFFAOYSA-N
XLogP4.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2,5-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075221
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250377
1-[2-(2,3-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282384
(1S)-N-[(2,3-dichlorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655829
N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 105075920
8-(2,3-dichlorophenoxy)isoquinolin-5-amine
CID 103139757
[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 105067223

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 105075167) is N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccncc1Oc1cccc(Cl)c1Cl.
What is the InChIKey of N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is SPBGYVHNWCMDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-10(2)19-8-11-6-7-18-9-14(11)20-13-5-3-4-12(16)15(13)17/h3-7,9-10,19H,8H2,1-2H3.
What are the key properties of N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 311.21 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105075167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).