1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride

C12H19Cl2NO — CID 170894010

IUPAC1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
SMILESCCc1cc(CC(C)N)cc(Cl)c1OC.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-4-10-6-9(5-8(2)14)7-11(13)12(10)15-3;/h6-8H,4-5,14H2,1-3H3;1H
InChIKeyWDGRKFDRNKTPDK-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride

1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 170894010) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
PubChem CID170894010
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC Name1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
SMILESCCc1cc(CC(C)N)cc(Cl)c1OC.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-4-10-6-9(5-8(2)14)7-11(13)12(10)15-3;/h6-8H,4-5,14H2,1-3H3;1H
InChIKeyWDGRKFDRNKTPDK-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890086
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
1-[3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxyphenyl]propan-2-amine
CID 60906618
2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
CID 117331573
1-(3,4,5-trimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492617
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride (CID 170894010) is 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride is CCc1cc(CC(C)N)cc(Cl)c1OC.Cl.
What is the InChIKey of 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is WDGRKFDRNKTPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO.ClH/c1-4-10-6-9(5-8(2)14)7-11(13)12(10)15-3;/h6-8H,4-5,14H2,1-3H3;1H.
What are the key properties of 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride?
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170894010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).