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

C12H20ClNO — CID 171211620

IUPAC(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(C)c(OC)c(C)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-5-11(13)10-6-8(2)12(14-4)9(3)7-10;/h6-7,11H,5,13H2,1-4H3;1H/t11-;/m1./s1
InChIKeyLJTKWZNYEZDNMR-RFVHGSKJSA-N
MW229.75 g/mol
LogP3.14
Rot. Bonds3

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

(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride (PubChem CID 171211620) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
PubChem CID171211620
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cc(C)c(OC)c(C)c1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-5-11(13)10-6-8(2)12(14-4)9(3)7-10;/h6-7,11H,5,13H2,1-4H3;1H/t11-;/m1./s1
InChIKeyLJTKWZNYEZDNMR-RFVHGSKJSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631
(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
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol;hydrochloride
CID 171199777
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
CID 117287047
4-[(1R)-1-aminopropyl]-2,6-dimethoxyphenol
CID 171199776
1-(4-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 116904878
(R)-cyclopropyl-(4-methoxy-3,5-dimethylphenyl)methanamine;hydrochloride
CID 171211641
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(1S)-1-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171199595

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride (CID 171211620) is (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride is CC[C@@H](N)c1cc(C)c(OC)c(C)c1.Cl.
What is the InChIKey of (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride?
The InChIKey is LJTKWZNYEZDNMR-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-5-11(13)10-6-8(2)12(14-4)9(3)7-10;/h6-7,11H,5,13H2,1-4H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride?
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 3.14, 3 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)propan-1-amine;hydrochloride is sourced from PubChem (CID 171211620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).