N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine

C15H22ClNO3 — CID 104664869

IUPACN-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCOc1cc(Cl)cc(CNC(C)C)c1OC1CCOC1
InChIInChI=1S/C15H22ClNO3/c1-10(2)17-8-11-6-12(16)7-14(18-3)15(11)20-13-4-5-19-9-13/h6-7,10,13,17H,4-5,8-9H2,1-3H3
InChIKeyWBSMNUWOXVMSLA-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.01
Rot. Bonds6

About N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine

N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine (PubChem CID 104664869) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
PubChem CID104664869
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
SMILESCOc1cc(Cl)cc(CNC(C)C)c1OC1CCOC1
InChIInChI=1S/C15H22ClNO3/c1-10(2)17-8-11-6-12(16)7-14(18-3)15(11)20-13-4-5-19-9-13/h6-7,10,13,17H,4-5,8-9H2,1-3H3
InChIKeyWBSMNUWOXVMSLA-UHFFFAOYSA-N
XLogP3.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-3-methoxy-2-(oxan-4-yloxy)phenyl]methanamine
CID 104664075
1-(5-chloro-2-cyclobutyloxy-3-methoxyphenyl)-N-methoxymethanamine
CID 117432330
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156731
4-chloro-2-methoxy-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 104646424
N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]propan-2-amine
CID 63557537
N-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine
CID 63556375
N-[[5-chloro-3-methoxy-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 104664908
[3-chloro-5-methoxy-4-(oxolan-3-yloxy)phenyl]methanamine
CID 63556548
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
N-[[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 104664891
N-[[5-chloro-3-methoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]propan-2-amine
CID 114471775
2-[4-chloro-2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 104664877

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine (CID 104664869) is N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine is COc1cc(Cl)cc(CNC(C)C)c1OC1CCOC1.
What is the InChIKey of N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
The InChIKey is WBSMNUWOXVMSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(2)17-8-11-6-12(16)7-14(18-3)15(11)20-13-4-5-19-9-13/h6-7,10,13,17H,4-5,8-9H2,1-3H3.
What are the key properties of N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine?
N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine has a molecular weight of 299.80 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-3-methoxy-2-(oxolan-3-yloxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 104664869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).