(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride

C11H18ClNO — CID 171209897

IUPAC(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
SMILESCc1cccc([C@H](N)CCCO)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9-4-2-5-10(8-9)11(12)6-3-7-13;/h2,4-5,8,11,13H,3,6-7,12H2,1H3;1H/t11-;/m1./s1
InChIKeyZYBMEUWXWOHUPS-RFVHGSKJSA-N
MW215.72 g/mol
LogP2.19
Rot. Bonds4

About (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride (PubChem CID 171209897) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
PubChem CID171209897
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride
SMILESCc1cccc([C@H](N)CCCO)c1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-9-4-2-5-10(8-9)11(12)6-3-7-13;/h2,4-5,8,11,13H,3,6-7,12H2,1H3;1H/t11-;/m1./s1
InChIKeyZYBMEUWXWOHUPS-RFVHGSKJSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
(1R)-3-fluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209882
(3S)-3-amino-3-(3-propan-2-ylphenyl)propan-1-ol;hydrochloride
CID 171231623
(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209890
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
N-[4-amino-4-(3-methylphenyl)butyl]acetamide
CID 163883737
2-[(1R)-1-amino-4-hydroxybutyl]-6-methylphenol;hydrochloride
CID 171212526
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251
(1R)-3,3,3-trifluoro-1-(3-methylphenyl)propan-1-amine;hydrochloride
CID 171209879
(3S)-3-amino-3-(3-methylphenyl)propanenitrile;hydrochloride
CID 171260081
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride (CID 171209897) is (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride is Cc1cccc([C@H](N)CCCO)c1.Cl.
What is the InChIKey of (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride?
The InChIKey is ZYBMEUWXWOHUPS-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-9-4-2-5-10(8-9)11(12)6-3-7-13;/h2,4-5,8,11,13H,3,6-7,12H2,1H3;1H/t11-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(3-methylphenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171209897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).