N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine

C16H18Cl2N2O — CID 65125298

IUPACN-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2O/c1-11(2)19-8-13-7-15(18)16(20-9-13)21-10-12-3-5-14(17)6-4-12/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyKRLVQNGOXLQOTD-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.47
Rot. Bonds6

About N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine

N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 65125298) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
PubChem CID65125298
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC NameN-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C16H18Cl2N2O/c1-11(2)19-8-13-7-15(18)16(20-9-13)21-10-12-3-5-14(17)6-4-12/h3-7,9,11,19H,8,10H2,1-2H3
InChIKeyKRLVQNGOXLQOTD-UHFFFAOYSA-N
XLogP4.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
2-[(3-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263326
2-[(4-Chlorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263330
2-[(1S)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263336
2-[(1R)-1-(3-chlorophenyl)ethoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263337
2-[1-(3-Chlorophenyl)propoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263338
6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514897
6-chloro-2-(4-chlorophenyl)-2H-pyrano[2,3-b]pyridine
CID 514907
2-(2,4-Dichlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133861
2-(2-Chloro-6-fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44134038
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702
(2S)-1-[[5-(2-chloro-4-pyridinyl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429890

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine (CID 65125298) is N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnc(OCc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is KRLVQNGOXLQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-11(2)19-8-13-7-15(18)16(20-9-13)21-10-12-3-5-14(17)6-4-12/h3-7,9,11,19H,8,10H2,1-2H3.
What are the key properties of N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 325.24 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 65125298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).