(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride

C11H18ClNO — CID 171233415

IUPAC(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc(OC)cc1C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-4-11(12)10-6-5-9(13-3)7-8(10)2;/h5-7,11H,4,12H2,1-3H3;1H/t11-;/m0./s1
InChIKeyCDOQOYXFSYZXOW-MERQFXBCSA-N
MW215.72 g/mol
LogP2.84
Rot. Bonds3

About (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride

(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride (PubChem CID 171233415) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
PubChem CID171233415
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
SMILESCC[C@H](N)c1ccc(OC)cc1C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-4-11(12)10-6-5-9(13-3)7-8(10)2;/h5-7,11H,4,12H2,1-3H3;1H/t11-;/m0./s1
InChIKeyCDOQOYXFSYZXOW-MERQFXBCSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 103148893
1-(1-bromopropyl)-4-methoxy-2-methylbenzene
CID 61097886
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride (CID 171233415) is (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride is CC[C@H](N)c1ccc(OC)cc1C.Cl.
What is the InChIKey of (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride?
The InChIKey is CDOQOYXFSYZXOW-MERQFXBCSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-4-11(12)10-6-5-9(13-3)7-8(10)2;/h5-7,11H,4,12H2,1-3H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride?
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171233415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).