1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine

C13H20ClNO2 — CID 104666968

IUPAC1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1c(CC(C)N)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-4-5-17-13-10(6-9(2)15)7-11(14)8-12(13)16-3/h7-9H,4-6,15H2,1-3H3
InChIKeyGOUUTIIBIAEANB-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.03
Rot. Bonds6

About 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine

1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine (PubChem CID 104666968) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
PubChem CID104666968
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
SMILESCCCOc1c(CC(C)N)cc(Cl)cc1OC
InChIInChI=1S/C13H20ClNO2/c1-4-5-17-13-10(6-9(2)15)7-11(14)8-12(13)16-3/h7-9H,4-6,15H2,1-3H3
InChIKeyGOUUTIIBIAEANB-UHFFFAOYSA-N
XLogP3.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
1-(5-chloro-3-methoxy-2-pent-3-ynoxyphenyl)propan-2-amine
CID 104808085
1-[5-chloro-3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 104667037
1-(5-chloro-3-methoxy-2-phenylmethoxyphenyl)propan-2-amine
CID 104667048
1-(3-chloro-5-methoxy-4-propoxyphenyl)propan-2-amine
CID 54930877
1-[5-chloro-2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]butan-2-amine
CID 114526354
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-(5-chloro-2-fluoro-3-methoxyphenyl)propan-2-amine
CID 117310356
methyl 2-[2-(2-aminopropyl)-4-chloro-6-methoxyphenoxy]propanoate
CID 104667066
1-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
1-[5-chloro-3-methoxy-2-(1,3-thiazol-5-ylmethoxy)phenyl]propan-2-amine
CID 104666966
1-(5-chloro-3-cyclohexyl-2-propoxyphenyl)propan-2-amine;hydrochloride
CID 170893939

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine?
The IUPAC name of 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine (CID 104666968) is 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine is CCCOc1c(CC(C)N)cc(Cl)cc1OC.
What is the InChIKey of 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine?
The InChIKey is GOUUTIIBIAEANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-5-17-13-10(6-9(2)15)7-11(14)8-12(13)16-3/h7-9H,4-6,15H2,1-3H3.
What are the key properties of 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine?
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine has a molecular weight of 257.76 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine is sourced from PubChem (CID 104666968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).