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

C20H29NO — CID 10637907

IUPAC(1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NCC12CC3CC(CC(C3)C1)C2)[C@H](O)c1ccccc1
InChIInChI=1S/C20H29NO/c1-14(19(22)18-5-3-2-4-6-18)21-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17,19,21-22H,7-13H2,1H3/t14-,15?,16?,17?,19-,20?/m0/s1
InChIKeyDLIPOXICRIZLMF-KMOCJBKRSA-N
MW299.46 g/mol
LogP3.91
Rot. Bonds5

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

(1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol (PubChem CID 10637907) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol
PubChem CID10637907
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name(1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol
SMILESC[C@H](NCC12CC3CC(CC(C3)C1)C2)[C@H](O)c1ccccc1
InChIInChI=1S/C20H29NO/c1-14(19(22)18-5-3-2-4-6-18)21-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17,19,21-22H,7-13H2,1H3/t14-,15?,16?,17?,19-,20?/m0/s1
InChIKeyDLIPOXICRIZLMF-KMOCJBKRSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantylmethyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8897653
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
(2R)-2-(1-adamantylmethylamino)propan-1-ol
CID 7090704
1-[2-(1-adamantyl)ethoxy]-3-(1-phenylethylamino)propan-2-ol;hydrochloride
CID 2882626
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
1-(1-adamantyl)-2-(benzylamino)propan-1-ol
CID 3267642
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(3-tricyclo[2.2.1.02,6]heptanyl)propan-1-one
CID 110183254
(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
N-[2-(1-adamantyl)ethyl]-2,2-diphenylacetamide
CID 23766189
(1S,2R)-1-phenyl-2-(thiophen-2-ylmethylamino)propan-1-ol
CID 10220540

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol?
The IUPAC name of (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol (CID 10637907) is (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol is C[C@H](NCC12CC3CC(CC(C3)C1)C2)[C@H](O)c1ccccc1.
What is the InChIKey of (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol?
The InChIKey is DLIPOXICRIZLMF-KMOCJBKRSA-N. The full InChI is InChI=1S/C20H29NO/c1-14(19(22)18-5-3-2-4-6-18)21-13-20-10-15-7-16(11-20)9-17(8-15)12-20/h2-6,14-17,19,21-22H,7-13H2,1H3/t14-,15?,16?,17?,19-,20?/m0/s1.
What are the key properties of (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol?
(1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-(1-adamantylmethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 10637907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).