1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride

C17H27Cl2NO2 — CID 170893967

IUPAC1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
SMILESCCCOc1c(Cl)cc(COCC2CC2)cc1CC(C)N.Cl
InChIInChI=1S/C17H26ClNO2.ClH/c1-3-6-21-17-15(7-12(2)19)8-14(9-16(17)18)11-20-10-13-4-5-13;/h8-9,12-13H,3-7,10-11,19H2,1-2H3;1H
InChIKeySJARLRYNKKOHQO-UHFFFAOYSA-N
MW348.31 g/mol
LogP4.37
Rot. Bonds9

About 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride

1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride (PubChem CID 170893967) has the molecular formula C17H27Cl2NO2 and a molecular weight of 348.31 g/mol. Its IUPAC name is 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
PubChem CID170893967
Molecular FormulaC17H27Cl2NO2
Molecular Weight348.31 g/mol
Exact Mass347.14
IUPAC Name1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
SMILESCCCOc1c(Cl)cc(COCC2CC2)cc1CC(C)N.Cl
InChIInChI=1S/C17H26ClNO2.ClH/c1-3-6-21-17-15(7-12(2)19)8-14(9-16(17)18)11-20-10-13-4-5-13;/h8-9,12-13H,3-7,10-11,19H2,1-2H3;1H
InChIKeySJARLRYNKKOHQO-UHFFFAOYSA-N
XLogP4.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
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-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[3-chloro-2-(cyclopropylmethoxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170893973
1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride
CID 170893939
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(cyclopropylmethoxy)-5-propylphenyl]propan-2-amine;hydrochloride
CID 170894127
1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 64774236
1-[5-[2-(cyclopropylmethoxy)ethyl]-2-propoxyphenyl]butan-2-amine;hydrochloride
CID 170890274

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride (CID 170893967) is 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride is CCCOc1c(Cl)cc(COCC2CC2)cc1CC(C)N.Cl.
What is the InChIKey of 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride?
The InChIKey is SJARLRYNKKOHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2.ClH/c1-3-6-21-17-15(7-12(2)19)8-14(9-16(17)18)11-20-10-13-4-5-13;/h8-9,12-13H,3-7,10-11,19H2,1-2H3;1H.
What are the key properties of 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride?
1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride has a molecular weight of 348.31 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 170893967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).