(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol

C10H16N2O — CID 142004415

IUPAC(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NCN)[C@H](O)c1ccccc1
InChIInChI=1S/C10H16N2O/c1-8(12-7-11)10(13)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7,11H2,1H3/t8-,10-/m0/s1
InChIKeyMEJWCJJDGUKVBL-WPRPVWTQSA-N
MW180.25 g/mol
LogP0.61
Rot. Bonds4

About (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol

(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol (PubChem CID 142004415) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
PubChem CID142004415
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NCN)[C@H](O)c1ccccc1
InChIInChI=1S/C10H16N2O/c1-8(12-7-11)10(13)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7,11H2,1H3/t8-,10-/m0/s1
InChIKeyMEJWCJJDGUKVBL-WPRPVWTQSA-N
XLogP0.61
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
2-(methoxyamino)-1-phenylpropan-1-ol
CID 170043832
(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
1-phenyl-2-(1-phenylpropylamino)propan-1-ol
CID 12999293
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 69186898
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol (CID 142004415) is (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol is C[C@H](NCN)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol?
The InChIKey is MEJWCJJDGUKVBL-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(12-7-11)10(13)9-5-3-2-4-6-9/h2-6,8,10,12-13H,7,11H2,1H3/t8-,10-/m0/s1.
What are the key properties of (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol?
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 142004415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).