(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride

C15H19ClN2O — CID 171201573

IUPAC(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H18N2O.ClH/c16-15(11-18)13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12;/h1-9,15,17-18H,10-11,16H2;1H/t15-;/m1./s1
InChIKeyIKLHTPHFRHYAII-XFULWGLBSA-N
MW278.78 g/mol
LogP2.71
Rot. Bonds5

About (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride

(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride (PubChem CID 171201573) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
PubChem CID171201573
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C15H18N2O.ClH/c16-15(11-18)13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12;/h1-9,15,17-18H,10-11,16H2;1H/t15-;/m1./s1
InChIKeyIKLHTPHFRHYAII-XFULWGLBSA-N
XLogP2.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
CID 171201534
4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
CID 171221087
(1R,2S)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
CID 171261462
(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
CID 171267147
4-[(1S)-1-aminopent-4-enyl]-N-benzylaniline;hydrochloride
CID 171221102
(3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropan-1-ol
CID 171240157
4-[(1R)-1-aminohexyl]-N-benzylaniline
CID 171201539
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]propanoate
CID 171201574
4-(benzylamino)phenol;hydrochloride
CID 16738613
4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline
CID 171221091
methyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171240144
zinc;tris((2S)-2-amino-2-phenylethanol);dichloride
CID 175904832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride (CID 171201573) is (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride is Cl.N[C@H](CO)c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride?
The InChIKey is IKLHTPHFRHYAII-XFULWGLBSA-N. The full InChI is InChI=1S/C15H18N2O.ClH/c16-15(11-18)13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12;/h1-9,15,17-18H,10-11,16H2;1H/t15-;/m1./s1.
What are the key properties of (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride?
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171201573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).