(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride

C13H22ClNO2 — CID 171199339

IUPAC(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CC(C)C)cc1OC.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;/h5-6,8-9,11H,7,14H2,1-4H3;1H/t11-;/m1./s1
InChIKeyDDRLYVWUTQSBKV-RFVHGSKJSA-N
MW259.78 g/mol
LogP3.17
Rot. Bonds5

About (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171199339) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171199339
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc([C@H](N)CC(C)C)cc1OC.Cl
InChIInChI=1S/C13H21NO2.ClH/c1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;/h5-6,8-9,11H,7,14H2,1-4H3;1H/t11-;/m1./s1
InChIKeyDDRLYVWUTQSBKV-RFVHGSKJSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(4S)-4-amino-4-(3,4-dimethoxyphenyl)butan-2-ol
CID 71044038
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
5-[(1R)-1-amino-3-methylbutyl]-2-methoxyphenol
CID 171199295
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
1-(3,4-dimethoxyphenyl)-5-methylhexan-1-amine
CID 83162187
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine
CID 171234157
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
4-amino-4-(3,4-dimethoxyphenyl)-2-methylbutanoic acid
CID 116938376
3-amino-3-(3,4-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 132961318
(1S)-1-(3,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171218870

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride (CID 171199339) is (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride is COc1ccc([C@H](N)CC(C)C)cc1OC.Cl.
What is the InChIKey of (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is DDRLYVWUTQSBKV-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H21NO2.ClH/c1-9(2)7-11(14)10-5-6-12(15-3)13(8-10)16-4;/h5-6,8-9,11H,7,14H2,1-4H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 259.78 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171199339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).