1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride

C18H29Cl2NO — CID 170893939

IUPAC1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride
SMILESCCCOc1c(CC(C)N)cc(Cl)cc1C1CCCCC1.Cl
InChIInChI=1S/C18H28ClNO.ClH/c1-3-9-21-18-15(10-13(2)20)11-16(19)12-17(18)14-7-5-4-6-8-14;/h11-14H,3-10,20H2,1-2H3;1H
InChIKeyOSYRJYXGQVWPCY-UHFFFAOYSA-N
MW346.34 g/mol
LogP5.49
Rot. Bonds6

About 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride

1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride (PubChem CID 170893939) has the molecular formula C18H29Cl2NO and a molecular weight of 346.34 g/mol. Its IUPAC name is 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride
PubChem CID170893939
Molecular FormulaC18H29Cl2NO
Molecular Weight346.34 g/mol
Exact Mass345.16
IUPAC Name1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride
SMILESCCCOc1c(CC(C)N)cc(Cl)cc1C1CCCCC1.Cl
InChIInChI=1S/C18H28ClNO.ClH/c1-3-9-21-18-15(10-13(2)20)11-16(19)12-17(18)14-7-5-4-6-8-14;/h11-14H,3-10,20H2,1-2H3;1H
InChIKeyOSYRJYXGQVWPCY-UHFFFAOYSA-N
XLogP5.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.34
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-3-cyclohexyl-2-(cyclopropylmethoxy)phenyl]butan-2-amine;hydrochloride
CID 170889959
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
CID 170893967
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
CID 170891416
1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
CID 170894273
1-(3-cyclohexyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890212
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
1-[3,5-dichloro-2-(4-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 64774236

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride?
The IUPAC name of 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride (CID 170893939) is 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride is CCCOc1c(CC(C)N)cc(Cl)cc1C1CCCCC1.Cl.
What is the InChIKey of 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride?
The InChIKey is OSYRJYXGQVWPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO.ClH/c1-3-9-21-18-15(10-13(2)20)11-16(19)12-17(18)14-7-5-4-6-8-14;/h11-14H,3-10,20H2,1-2H3;1H.
What are the key properties of 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride?
1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride has a molecular weight of 346.34 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 170893939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).