(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride

C12H20Cl2N2O — CID 171212662

IUPAC(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
SMILESCN(C)c1ccc([C@H](N)CCCO)c(Cl)c1.Cl
InChIInChI=1S/C12H19ClN2O.ClH/c1-15(2)9-5-6-10(11(13)8-9)12(14)4-3-7-16;/h5-6,8,12,16H,3-4,7,14H2,1-2H3;1H/t12-;/m1./s1
InChIKeyJANJIGAKEHBONZ-UTONKHPSSA-N
MW279.21 g/mol
LogP2.60
Rot. Bonds5

About (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride

(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride (PubChem CID 171212662) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
PubChem CID171212662
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
SMILESCN(C)c1ccc([C@H](N)CCCO)c(Cl)c1.Cl
InChIInChI=1S/C12H19ClN2O.ClH/c1-15(2)9-5-6-10(11(13)8-9)12(14)4-3-7-16;/h5-6,8,12,16H,3-4,7,14H2,1-2H3;1H/t12-;/m1./s1
InChIKeyJANJIGAKEHBONZ-UTONKHPSSA-N
XLogP2.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[2-chloro-4-(dimethylamino)phenyl]ethanol
CID 130060474
(1S)-1-[2-chloro-4-(dimethylamino)phenyl]pentane-1,5-diamine
CID 171232219
4-[(1S)-1-amino-3-fluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232241
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212633
4-[(1R)-1-aminopent-4-enyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171212647
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
CID 171232170
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-3-chloro-N,N-dimethylaniline;hydrochloride
CID 171232237
(3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171250576
(3S)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]-2,2-dimethylpropan-1-ol
CID 171243846
3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170874587
4-[(1R)-1-amino-2-cyclopropylethyl]-3-chloro-N,N-dimethylaniline
CID 171212628
methyl (3R)-3-amino-3-[2-chloro-4-(dimethylamino)phenyl]propanoate
CID 171250563

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride (CID 171212662) is (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride is CN(C)c1ccc([C@H](N)CCCO)c(Cl)c1.Cl.
What is the InChIKey of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?
The InChIKey is JANJIGAKEHBONZ-UTONKHPSSA-N. The full InChI is InChI=1S/C12H19ClN2O.ClH/c1-15(2)9-5-6-10(11(13)8-9)12(14)4-3-7-16;/h5-6,8,12,16H,3-4,7,14H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride?
(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride has a molecular weight of 279.21 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride is sourced from PubChem (CID 171212662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).