2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride

C13H23ClN2O — CID 119924846

IUPAC2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCOc1ccc(CCN(C)C(C)CN)cc1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-11(10-14)15(2)9-8-12-4-6-13(16-3)7-5-12;/h4-7,11H,8-10,14H2,1-3H3;1H
InChIKeyFUPZXRRWBRTKJL-UHFFFAOYSA-N
MW258.79 g/mol
LogP1.94
Rot. Bonds6

About 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride

2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride (PubChem CID 119924846) has the molecular formula C13H23ClN2O and a molecular weight of 258.79 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
PubChem CID119924846
Molecular FormulaC13H23ClN2O
Molecular Weight258.79 g/mol
Exact Mass258.15
IUPAC Name2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCOc1ccc(CCN(C)C(C)CN)cc1.Cl
InChIInChI=1S/C13H22N2O.ClH/c1-11(10-14)15(2)9-8-12-4-6-13(16-3)7-5-12;/h4-7,11H,8-10,14H2,1-3H3;1H
InChIKeyFUPZXRRWBRTKJL-UHFFFAOYSA-N
XLogP1.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.79
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
2-N-methyl-2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 117040198
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid;hydrochloride
CID 119913768
2-[2-(4-methoxyphenyl)ethyl-methylamino]-3-methylbutan-1-ol
CID 115137771
2-[2-(4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 62638720
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987
ethanamine;1-methoxy-4-propylbenzene
CID 19382800
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 115168599
N'-[2-(4-methoxyphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 65430284
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride (CID 119924846) is 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride is COc1ccc(CCN(C)C(C)CN)cc1.Cl.
What is the InChIKey of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is FUPZXRRWBRTKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O.ClH/c1-11(10-14)15(2)9-8-12-4-6-13(16-3)7-5-12;/h4-7,11H,8-10,14H2,1-3H3;1H.
What are the key properties of 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 258.79 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 119924846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).