N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride

C14H23Cl2NO2 — CID 2959475

IUPACN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCCOc1c(Cl)cc(CNCC(C)C)cc1OC.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-5-18-14-12(15)6-11(7-13(14)17-4)9-16-8-10(2)3;/h6-7,10,16H,5,8-9H2,1-4H3;1H
InChIKeyGCCZHSXVCIAHHA-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.91
Rot. Bonds7

About N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride (PubChem CID 2959475) has the molecular formula C14H23Cl2NO2 and a molecular weight of 308.25 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
PubChem CID2959475
Molecular FormulaC14H23Cl2NO2
Molecular Weight308.25 g/mol
Exact Mass307.11
IUPAC NameN-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
SMILESCCOc1c(Cl)cc(CNCC(C)C)cc1OC.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-5-18-14-12(15)6-11(7-13(14)17-4)9-16-8-10(2)3;/h6-7,10,16H,5,8-9H2,1-4H3;1H
InChIKeyGCCZHSXVCIAHHA-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride (CID 2959475) is N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride is CCOc1c(Cl)cc(CNCC(C)C)cc1OC.Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
The InChIKey is GCCZHSXVCIAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2.ClH/c1-5-18-14-12(15)6-11(7-13(14)17-4)9-16-8-10(2)3;/h6-7,10,16H,5,8-9H2,1-4H3;1H.
What are the key properties of N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride?
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 2959475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).