(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride

C16H21ClN2O — CID 171267147

IUPAC(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccc(NCc2ccccc2)cc1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-12(19)16(17)14-7-9-15(10-8-14)18-11-13-5-3-2-4-6-13;/h2-10,12,16,18-19H,11,17H2,1H3;1H/t12-,16-;/m1./s1
InChIKeySVIIWZAJLHUAGQ-VQZRABBESA-N
MW292.81 g/mol
LogP3.10
Rot. Bonds5

About (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride (PubChem CID 171267147) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
PubChem CID171267147
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccc(NCc2ccccc2)cc1.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-12(19)16(17)14-7-9-15(10-8-14)18-11-13-5-3-2-4-6-13;/h2-10,12,16,18-19H,11,17H2,1H3;1H/t12-,16-;/m1./s1
InChIKeySVIIWZAJLHUAGQ-VQZRABBESA-N
XLogP3.10
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride
CID 171261462
(2S)-2-amino-2-[4-(benzylamino)phenyl]ethanol;hydrochloride
CID 171201573
4-[(1R)-1-aminobutyl]-N-benzylaniline;hydrochloride
CID 171201534
methyl (3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171240144
(3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropan-1-ol
CID 171240157
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
CID 130779699
4-(benzylamino)phenol;hydrochloride
CID 16738613
3-[4-(benzylamino)phenyl]-2-methylpropanoic acid
CID 54156603
4-[(S)-amino(cyclopropyl)methyl]-N-benzylaniline
CID 171221091
4-[(1S)-1-amino-3-fluoropropyl]-N-benzylaniline
CID 171221087
4-[(1R)-1-aminohexyl]-N-benzylaniline
CID 171201539
ethyl (3R)-3-amino-3-[4-(benzylamino)phenyl]propanoate
CID 171201574

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride (CID 171267147) is (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1ccc(NCc2ccccc2)cc1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride?
The InChIKey is SVIIWZAJLHUAGQ-VQZRABBESA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-12(19)16(17)14-7-9-15(10-8-14)18-11-13-5-3-2-4-6-13;/h2-10,12,16,18-19H,11,17H2,1H3;1H/t12-,16-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 3.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[4-(benzylamino)phenyl]propan-2-ol;hydrochloride is sourced from PubChem (CID 171267147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).