N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine

C15H22ClNO2 — CID 105006959

IUPACN-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)C1OCCC1C
InChIInChI=1S/C15H22ClNO2/c1-4-17-14(15-10(2)7-8-19-15)11-5-6-12(16)13(9-11)18-3/h5-6,9-10,14-15,17H,4,7-8H2,1-3H3
InChIKeyHTTWRTWDMTVTGH-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.42
Rot. Bonds5

About N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine

N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 105006959) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
PubChem CID105006959
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)C1OCCC1C
InChIInChI=1S/C15H22ClNO2/c1-4-17-14(15-10(2)7-8-19-15)11-5-6-12(16)13(9-11)18-3/h5-6,9-10,14-15,17H,4,7-8H2,1-3H3
InChIKeyHTTWRTWDMTVTGH-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-diethylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 115482290
N-[(4-chloro-3-methoxyphenyl)-(2,2-dimethylcyclopentyl)methyl]ethanamine
CID 107189816
N-[(3-cyclobutylphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105053721
N-[(4-methoxy-1-methylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105047110
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
N-[(5-chloro-1-benzofuran-2-yl)-(3-methyloxolan-2-yl)methyl]ethanamine
CID 105045848
N-[(3-chloro-4-methoxyphenyl)-(1,4-dioxan-2-yl)methyl]ethanamine
CID 62800281
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-3-methyloxolane
CID 104546411
1-(4-chloro-3-methoxyphenyl)-1-cyclooctyl-N-methylmethanamine
CID 80604128
N-[cycloheptyl-(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62587576
[(4-chloro-3-methoxyphenyl)-(4-ethylmorpholin-2-yl)methyl]hydrazine
CID 105247506

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine (CID 105006959) is N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(OC)c1)C1OCCC1C.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is HTTWRTWDMTVTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-4-17-14(15-10(2)7-8-19-15)11-5-6-12(16)13(9-11)18-3/h5-6,9-10,14-15,17H,4,7-8H2,1-3H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine?
N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 283.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 105006959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).