1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride

C9H15ClN2O — CID 70626122

IUPAC1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(C(N)CN)cc1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-12-8-4-2-7(3-5-8)9(11)6-10;/h2-5,9H,6,10-11H2,1H3;1H
InChIKeyUXPFKXQKCNXBNY-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.08
Rot. Bonds3

About 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride

1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride (PubChem CID 70626122) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
PubChem CID70626122
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
SMILESCOc1ccc(C(N)CN)cc1.Cl
InChIInChI=1S/C9H14N2O.ClH/c1-12-8-4-2-7(3-5-8)9(11)6-10;/h2-5,9H,6,10-11H2,1H3;1H
InChIKeyUXPFKXQKCNXBNY-UHFFFAOYSA-N
XLogP1.08
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine;hydrochloride
CID 171218891
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
2-ethylsulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64646771
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride (CID 70626122) is 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride is COc1ccc(C(N)CN)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is UXPFKXQKCNXBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.ClH/c1-12-8-4-2-7(3-5-8)9(11)6-10;/h2-5,9H,6,10-11H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride?
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 202.69 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 70626122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).