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

C15H26ClNO — CID 170890397

IUPAC1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1c(C)cc(CC(N)CC)cc1C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-5-7-17-15-11(3)8-13(9-12(15)4)10-14(16)6-2;/h8-9,14H,5-7,10,16H2,1-4H3;1H
InChIKeyLSZSLUFABFEPHU-UHFFFAOYSA-N
MW271.83 g/mol
LogP3.79
Rot. Bonds6

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

1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride (PubChem CID 170890397) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
PubChem CID170890397
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride
SMILESCCCOc1c(C)cc(CC(N)CC)cc1C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-5-7-17-15-11(3)8-13(9-12(15)4)10-14(16)6-2;/h8-9,14H,5-7,10,16H2,1-4H3;1H
InChIKeyLSZSLUFABFEPHU-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
CID 80695276
4-[4-(2-aminobutyl)-2,6-dimethylphenoxy]butanenitrile
CID 54930345
3-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 60907081
1-[3,5-dimethyl-4-(2-methylsulfonylethoxy)phenyl]butan-2-amine
CID 60915943
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]acetonitrile
CID 54930389
1-(4-but-2-ynoxy-3,5-dimethylphenyl)butan-2-amine
CID 62311991
1-(4-butoxy-3,5-dimethylphenyl)propan-2-amine
CID 54930520
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]-N-methylacetamide
CID 54930344
1-(4-hexoxy-3,5-dimethylphenyl)propan-2-amine
CID 63420985
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 54930392
1-[3,5-dimethyl-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60907942
1-[3,5-dimethyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]butan-2-amine
CID 103136573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride (CID 170890397) is 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride is CCCOc1c(C)cc(CC(N)CC)cc1C.Cl.
What is the InChIKey of 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
The InChIKey is LSZSLUFABFEPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-5-7-17-15-11(3)8-13(9-12(15)4)10-14(16)6-2;/h8-9,14H,5-7,10,16H2,1-4H3;1H.
What are the key properties of 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride?
1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-4-propoxyphenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).