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

C13H17Cl2NO2 — CID 2964102

IUPACN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1c(Cl)cc(Cl)cc1CNCC1CCCO1
InChIInChI=1S/C13H17Cl2NO2/c1-17-13-9(5-10(14)6-12(13)15)7-16-8-11-3-2-4-18-11/h5-6,11,16H,2-4,7-8H2,1H3
InChIKeySYUVCJPLLLRCOY-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.27
Rot. Bonds5

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

N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 2964102) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID2964102
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC NameN-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1c(Cl)cc(Cl)cc1CNCC1CCCO1
InChIInChI=1S/C13H17Cl2NO2/c1-17-13-9(5-10(14)6-12(13)15)7-16-8-11-3-2-4-18-11/h5-6,11,16H,2-4,7-8H2,1H3
InChIKeySYUVCJPLLLRCOY-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 2964102) is N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is COc1c(Cl)cc(Cl)cc1CNCC1CCCO1.
What is the InChIKey of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is SYUVCJPLLLRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-17-13-9(5-10(14)6-12(13)15)7-16-8-11-3-2-4-18-11/h5-6,11,16H,2-4,7-8H2,1H3.
What are the key properties of N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 290.19 g/mol, XLogP of 3.27, 5 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-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 2964102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).