(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride

C13H22ClNO — CID 171200212

IUPAC(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCOc1cccc([C@H](N)CCC(C)C)c1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-10(2)7-8-13(14)11-5-4-6-12(9-11)15-3;/h4-6,9-10,13H,7-8,14H2,1-3H3;1H/t13-;/m1./s1
InChIKeyGIXWUEBAULSIER-BTQNPOSSSA-N
MW243.78 g/mol
LogP3.55
Rot. Bonds5

About (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride

(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride (PubChem CID 171200212) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
PubChem CID171200212
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC Name(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
SMILESCOc1cccc([C@H](N)CCC(C)C)c1.Cl
InChIInChI=1S/C13H21NO.ClH/c1-10(2)7-8-13(14)11-5-4-6-12(9-11)15-3;/h4-6,9-10,13H,7-8,14H2,1-3H3;1H/t13-;/m1./s1
InChIKeyGIXWUEBAULSIER-BTQNPOSSSA-N
XLogP3.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
N',N'-diethyl-1-(3-methoxyphenyl)propane-1,3-diamine
CID 79087795
1-(3-methoxyphenyl)-3-methylhexan-1-amine
CID 62605848
3-[(1S)-1-amino-4-methylpentyl]phenol;hydrochloride
CID 171218072
(1S)-1-(3-chlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219117
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride (CID 171200212) is (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride is COc1cccc([C@H](N)CCC(C)C)c1.Cl.
What is the InChIKey of (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
The InChIKey is GIXWUEBAULSIER-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H21NO.ClH/c1-10(2)7-8-13(14)11-5-4-6-12(9-11)15-3;/h4-6,9-10,13H,7-8,14H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride?
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride has a molecular weight of 243.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride is sourced from PubChem (CID 171200212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).