1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine

C12H19ClN2O — CID 170894996

IUPAC1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine
SMILESCCOc1c(Cl)cc(CC)cc1C(N)CN
InChIInChI=1S/C12H19ClN2O/c1-3-8-5-9(11(15)7-14)12(16-4-2)10(13)6-8/h5-6,11H,3-4,7,14-15H2,1-2H3
InChIKeyNECDLABTNYBWDC-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.26
Rot. Bonds5

About 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine

1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine (PubChem CID 170894996) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine
PubChem CID170894996
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine
SMILESCCOc1c(Cl)cc(CC)cc1C(N)CN
InChIInChI=1S/C12H19ClN2O/c1-3-8-5-9(11(15)7-14)12(16-4-2)10(13)6-8/h5-6,11H,3-4,7,14-15H2,1-2H3
InChIKeyNECDLABTNYBWDC-UHFFFAOYSA-N
XLogP2.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-ethoxy-5-methylphenyl)ethane-1,2-diamine
CID 66517966
(1R)-1-(3,5-dichloro-2-methoxyphenyl)ethane-1,2-diamine
CID 66517963
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
2-amino-1-(3-chloro-2-ethoxy-5-methylphenyl)ethanol
CID 83893998
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156809
4-(3-chloro-5-ethoxy-4-propoxyphenyl)butan-2-amine
CID 83952634
1-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]ethane-1,2-diamine
CID 170894968
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine
CID 66518126
1-(3-chloro-2-ethoxyphenyl)ethanamine;hydrochloride
CID 163284852

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine (CID 170894996) is 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine is CCOc1c(Cl)cc(CC)cc1C(N)CN.
What is the InChIKey of 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine?
The InChIKey is NECDLABTNYBWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-8-5-9(11(15)7-14)12(16-4-2)10(13)6-8/h5-6,11H,3-4,7,14-15H2,1-2H3.
What are the key properties of 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine?
1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxy-5-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 170894996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).