1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine

C15H22ClNO3 — CID 75382385

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCOc1cc(OC)c(C(C)NCC2CCCO2)cc1Cl
InChIInChI=1S/C15H22ClNO3/c1-10(17-9-11-5-4-6-20-11)12-7-13(16)15(19-3)8-14(12)18-2/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyVYXAZWVASSJMNA-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.19
Rot. Bonds6

About 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine

1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 75382385) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID75382385
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCOc1cc(OC)c(C(C)NCC2CCCO2)cc1Cl
InChIInChI=1S/C15H22ClNO3/c1-10(17-9-11-5-4-6-20-11)12-7-13(16)15(19-3)8-14(12)18-2/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyVYXAZWVASSJMNA-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014378
(1S)-1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 97322156
1-(5-chloro-2,4-dimethoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 75427891
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
5-fluoro-2-[1-(oxolan-2-ylmethylamino)ethyl]phenol
CID 63066355
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22543090
1-[5-fluoro-2-(3-fluorophenoxy)phenyl]-N-(oxan-2-ylmethyl)ethanamine
CID 139016017

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine (CID 75382385) is 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine is COc1cc(OC)c(C(C)NCC2CCCO2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is VYXAZWVASSJMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(17-9-11-5-4-6-20-11)12-7-13(16)15(19-3)8-14(12)18-2/h7-8,10-11,17H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 299.80 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 75382385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).