1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride

C14H23Cl2NO — CID 170893991

IUPAC1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
SMILESCCOc1c(Cl)cc(C(C)C)cc1CC(C)N.Cl
InChIInChI=1S/C14H22ClNO.ClH/c1-5-17-14-12(6-10(4)16)7-11(9(2)3)8-13(14)15;/h7-10H,5-6,16H2,1-4H3;1H
InChIKeyRAXHJZCDNISTHH-UHFFFAOYSA-N
MW292.25 g/mol
LogP4.17
Rot. Bonds5

About 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride

1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride (PubChem CID 170893991) has the molecular formula C14H23Cl2NO and a molecular weight of 292.25 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
PubChem CID170893991
Molecular FormulaC14H23Cl2NO
Molecular Weight292.25 g/mol
Exact Mass291.12
IUPAC Name1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride
SMILESCCOc1c(Cl)cc(C(C)C)cc1CC(C)N.Cl
InChIInChI=1S/C14H22ClNO.ClH/c1-5-17-14-12(6-10(4)16)7-11(9(2)3)8-13(14)15;/h7-10H,5-6,16H2,1-4H3;1H
InChIKeyRAXHJZCDNISTHH-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
CID 170891411
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
CID 170891416
1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
CID 170890050
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
(1R,2S)-1-amino-1-(3-chloro-4-ethoxy-5-fluorophenyl)propan-2-ol;hydrochloride
CID 171265564
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride (CID 170893991) is 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride is CCOc1c(Cl)cc(C(C)C)cc1CC(C)N.Cl.
What is the InChIKey of 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride?
The InChIKey is RAXHJZCDNISTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO.ClH/c1-5-17-14-12(6-10(4)16)7-11(9(2)3)8-13(14)15;/h7-10H,5-6,16H2,1-4H3;1H.
What are the key properties of 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride?
1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride has a molecular weight of 292.25 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxy-5-propan-2-ylphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170893991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).