N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine

C14H19Cl2NO2 — CID 4717405

IUPACN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCOc1c(Cl)cc(Cl)cc1CNCC1CCCO1
InChIInChI=1S/C14H19Cl2NO2/c1-2-18-14-10(6-11(15)7-13(14)16)8-17-9-12-4-3-5-19-12/h6-7,12,17H,2-5,8-9H2,1H3
InChIKeyXVGXLEKSUXPQER-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.66
Rot. Bonds6

About N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 4717405) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID4717405
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC NameN-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCOc1c(Cl)cc(Cl)cc1CNCC1CCCO1
InChIInChI=1S/C14H19Cl2NO2/c1-2-18-14-10(6-11(15)7-13(14)16)8-17-9-12-4-3-5-19-12/h6-7,12,17H,2-5,8-9H2,1H3
InChIKeyXVGXLEKSUXPQER-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51989916
2-[2,4-dichloro-6-[(oxolan-2-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6473357
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51988305
N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 4717413
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 66531178
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17055447
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4716086
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4722191
N-[[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29187254
N-[(2-bromo-4-chlorophenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 81495268

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 4717405) is N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is CCOc1c(Cl)cc(Cl)cc1CNCC1CCCO1.
What is the InChIKey of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XVGXLEKSUXPQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-2-18-14-10(6-11(15)7-13(14)16)8-17-9-12-4-3-5-19-12/h6-7,12,17H,2-5,8-9H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 304.22 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 4717405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).