N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine

C17H20ClNO — CID 61033468

IUPACN-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(Cl)cc1-c1cccc(CNC(C)C)c1
InChIInChI=1S/C17H20ClNO/c1-12(2)19-11-13-5-4-6-14(9-13)16-10-15(18)7-8-17(16)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyHIOMXGXGUQTKFM-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.51
Rot. Bonds5

About N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine

N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine (PubChem CID 61033468) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
PubChem CID61033468
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1ccc(Cl)cc1-c1cccc(CNC(C)C)c1
InChIInChI=1S/C17H20ClNO/c1-12(2)19-11-13-5-4-6-14(9-13)16-10-15(18)7-8-17(16)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyHIOMXGXGUQTKFM-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
CID 63424152
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 66158279
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
1-[4-(5-chloro-2-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911854
N-[[3-[(3-chlorophenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346718
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[[2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288094
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184147
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751
N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 43224440

Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine (CID 61033468) is N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine is COc1ccc(Cl)cc1-c1cccc(CNC(C)C)c1.
What is the InChIKey of N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is HIOMXGXGUQTKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(2)19-11-13-5-4-6-14(9-13)16-10-15(18)7-8-17(16)20-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine?
N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61033468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).