(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride

C15H26ClNO — CID 171216456

IUPAC(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@H](N)CC(C)C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-10(2)8-14(16)13-9-12(11(3)4)6-7-15(13)17-5;/h6-7,9-11,14H,8,16H2,1-5H3;1H/t14-;/m1./s1
InChIKeyXINHRLSCCOSIBV-PFEQFJNWSA-N
MW271.83 g/mol
LogP4.29
Rot. Bonds5

About (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171216456) has the molecular formula C15H26ClNO and a molecular weight of 271.83 g/mol. Its IUPAC name is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171216456
Molecular FormulaC15H26ClNO
Molecular Weight271.83 g/mol
Exact Mass271.17
IUPAC Name(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc(C(C)C)cc1[C@H](N)CC(C)C.Cl
InChIInChI=1S/C15H25NO.ClH/c1-10(2)8-14(16)13-9-12(11(3)4)6-7-15(13)17-5;/h6-7,9-11,14H,8,16H2,1-5H3;1H/t14-;/m1./s1
InChIKeyXINHRLSCCOSIBV-PFEQFJNWSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentan-1-amine
CID 171216479
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
(1R)-1-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171201596
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
1-(2-methoxy-5-propan-2-ylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935024
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
1-(2-methoxy-4-propan-2-ylphenyl)butane-1,3-diamine
CID 116933264
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbut-3-en-1-amine
CID 171216475
1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
methoxy-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947253

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride (CID 171216456) is (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride is COc1ccc(C(C)C)cc1[C@H](N)CC(C)C.Cl.
What is the InChIKey of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is XINHRLSCCOSIBV-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H25NO.ClH/c1-10(2)8-14(16)13-9-12(11(3)4)6-7-15(13)17-5;/h6-7,9-11,14H,8,16H2,1-5H3;1H/t14-;/m1./s1.
What are the key properties of (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 271.83 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171216456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).