1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride

C15H25Cl2NO — CID 170890039

IUPAC1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1c(Cl)cc(CC(N)CC)c(C)c1C.Cl
InChIInChI=1S/C15H24ClNO.ClH/c1-5-7-18-15-11(4)10(3)12(9-14(15)16)8-13(17)6-2;/h9,13H,5-8,17H2,1-4H3;1H
InChIKeyNKFFFLURWHLHLR-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.45
Rot. Bonds6

About 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride

1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170890039) has the molecular formula C15H25Cl2NO and a molecular weight of 306.28 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170890039
Molecular FormulaC15H25Cl2NO
Molecular Weight306.28 g/mol
Exact Mass305.13
IUPAC Name1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1c(Cl)cc(CC(N)CC)c(C)c1C.Cl
InChIInChI=1S/C15H24ClNO.ClH/c1-5-7-18-15-11(4)10(3)12(9-14(15)16)8-13(17)6-2;/h9,13H,5-8,17H2,1-4H3;1H
InChIKeyNKFFFLURWHLHLR-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
CID 170890049
1-(3,5-difluoro-2-methyl-4-propoxyphenyl)butan-2-amine
CID 170890371
1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
CID 170894273
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890397
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)butan-2-amine
CID 170890034
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
4-[2-(2-aminobutyl)-4,6-dichlorophenoxy]butanenitrile
CID 54929145
1-(5-butan-2-yl-3-chloro-2-propoxyphenyl)propan-2-amine
CID 170891416
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
CID 170890050
1-(4,5-difluoro-2-propoxyphenyl)butan-2-amine
CID 170890380

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride (CID 170890039) is 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride is CCCOc1c(Cl)cc(CC(N)CC)c(C)c1C.Cl.
What is the InChIKey of 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is NKFFFLURWHLHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO.ClH/c1-5-7-18-15-11(4)10(3)12(9-14(15)16)8-13(17)6-2;/h9,13H,5-8,17H2,1-4H3;1H.
What are the key properties of 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 306.28 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).