(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride

C14H24ClNO — CID 171211631

IUPAC(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1c(C)cc([C@H](N)CC(C)C)cc1C.Cl
InChIInChI=1S/C14H23NO.ClH/c1-9(2)6-13(15)12-7-10(3)14(16-5)11(4)8-12;/h7-9,13H,6,15H2,1-5H3;1H/t13-;/m1./s1
InChIKeyJDQXWRSAQZDPPU-BTQNPOSSSA-N
MW257.80 g/mol
LogP3.78
Rot. Bonds4

About (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride

(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171211631) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171211631
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC Name(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1c(C)cc([C@H](N)CC(C)C)cc1C.Cl
InChIInChI=1S/C14H23NO.ClH/c1-9(2)6-13(15)12-7-10(3)14(16-5)11(4)8-12;/h7-9,13H,6,15H2,1-5H3;1H/t13-;/m1./s1
InChIKeyJDQXWRSAQZDPPU-BTQNPOSSSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
4-[(1S)-1-amino-3-methylbutyl]-2,6-dimethylphenol;hydrochloride
CID 171224632
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 171231243
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
5-[4,4-bis(4-methoxy-3,5-dimethylphenyl)butan-2-yl]-2-methoxy-1,3-dimethylbenzene
CID 22900375
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
(1R)-1-(3,4-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199339
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
1-(4-methoxy-2,6-dimethylphenyl)-3-methylbutan-1-amine
CID 82048906
(3,4-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83056988
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
CID 117287047

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride (CID 171211631) is (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride is COc1c(C)cc([C@H](N)CC(C)C)cc1C.Cl.
What is the InChIKey of (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is JDQXWRSAQZDPPU-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H23NO.ClH/c1-9(2)6-13(15)12-7-10(3)14(16-5)11(4)8-12;/h7-9,13H,6,15H2,1-5H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 257.80 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171211631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).