(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol

C10H16N2O — CID 130779699

IUPAC(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
SMILESCNc1ccc([C@@H](N)[C@H](C)O)cc1
InChIInChI=1S/C10H16N2O/c1-7(13)10(11)8-3-5-9(12-2)6-4-8/h3-7,10,12-13H,11H2,1-2H3/t7-,10-/m0/s1
InChIKeyOOYZUMRCTRVBBN-XVKPBYJWSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds3

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

(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol (PubChem CID 130779699) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
PubChem CID130779699
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol
SMILESCNc1ccc([C@@H](N)[C@H](C)O)cc1
InChIInChI=1S/C10H16N2O/c1-7(13)10(11)8-3-5-9(12-2)6-4-8/h3-7,10,12-13H,11H2,1-2H3/t7-,10-/m0/s1
InChIKeyOOYZUMRCTRVBBN-XVKPBYJWSA-N
XLogP1.11
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-aminoethyl]-N-methylaniline
CID 130673691
1-amino-1-[4-(methylamino)phenyl]but-3-en-2-ol
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CID 130840642
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
(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
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
(1S,2S)-1-amino-1-(4-methylsulfanylphenyl)propan-2-ol
CID 55270641
4-[(1S)-1-amino-2,2-dimethylpropyl]-N-methylaniline
CID 130625593

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol (CID 130779699) is (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol is CNc1ccc([C@@H](N)[C@H](C)O)cc1.
What is the InChIKey of (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol?
The InChIKey is OOYZUMRCTRVBBN-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(13)10(11)8-3-5-9(12-2)6-4-8/h3-7,10,12-13H,11H2,1-2H3/t7-,10-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol?
(1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[4-(methylamino)phenyl]propan-2-ol is sourced from PubChem (CID 130779699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).