(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride

C14H17ClN2O — CID 175066549

IUPAC(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
SMILESCl.Nc1cccc(NC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C14H16N2O.ClH/c15-12-7-4-8-13(9-12)16-10-14(17)11-5-2-1-3-6-11;/h1-9,14,16-17H,10,15H2;1H/t14-;/m0./s1
InChIKeySVGGRTSRYRCGHK-UQKRIMTDSA-N
MW264.76 g/mol
LogP2.84
Rot. Bonds4

About (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride

(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride (PubChem CID 175066549) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
PubChem CID175066549
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
SMILESCl.Nc1cccc(NC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C14H16N2O.ClH/c15-12-7-4-8-13(9-12)16-10-14(17)11-5-2-1-3-6-11;/h1-9,14,16-17H,10,15H2;1H/t14-;/m0./s1
InChIKeySVGGRTSRYRCGHK-UQKRIMTDSA-N
XLogP2.84
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromoanilino)-1-phenylethanol
CID 60719910
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
3-amino-5-[(2-hydroxy-2-phenylethyl)amino]benzenesulfonamide
CID 60986703
3-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
1-(3-aminoanilino)-4,4-dimethylpentan-2-ol
CID 107150901
2-(4-aminoanilino)-1-(4-phenylphenyl)ethanol
CID 155758987
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
3-N-benzhydrylbenzene-1,3-diamine
CID 43344281
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride?
The IUPAC name of (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride (CID 175066549) is (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride.
What is the SMILES notation for (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride?
The canonical SMILES for (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride is Cl.Nc1cccc(NC[C@H](O)c2ccccc2)c1.
What is the InChIKey of (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride?
The InChIKey is SVGGRTSRYRCGHK-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H16N2O.ClH/c15-12-7-4-8-13(9-12)16-10-14(17)11-5-2-1-3-6-11;/h1-9,14,16-17H,10,15H2;1H/t14-;/m0./s1.
What are the key properties of (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride?
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride is sourced from PubChem (CID 175066549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).