3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten

C18H21NOW — CID 59930174

IUPAC3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
SMILESC[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1.[W]
InChIInChI=1S/C18H21NO.W/c1-13(15-8-5-9-17(20)10-15)19-12-16-11-18(16)14-6-3-2-4-7-14;/h2-10,13,16,18-20H,11-12H2,1H3;/t13-,16+,18+;/m1./s1
InChIKeyFTEIEQDFOCCGCR-NMMAEDQESA-N
MW451.21 g/mol
LogP3.84
Rot. Bonds5

About 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten

3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten (PubChem CID 59930174) has the molecular formula C18H21NOW and a molecular weight of 451.21 g/mol. Its IUPAC name is 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten.

Molecular Properties

Compound Name3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
PubChem CID59930174
Molecular FormulaC18H21NOW
Molecular Weight451.21 g/mol
Exact Mass451.11
IUPAC Name3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
SMILESC[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1.[W]
InChIInChI=1S/C18H21NO.W/c1-13(15-8-5-9-17(20)10-15)19-12-16-11-18(16)14-6-3-2-4-7-14;/h2-10,13,16,18-20H,11-12H2,1H3;/t13-,16+,18+;/m1./s1
InChIKeyFTEIEQDFOCCGCR-NMMAEDQESA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.21
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine
CID 22111156
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880708
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
3-[1-[(4-cyclopropylphenyl)methylamino]ethyl]phenol
CID 79978926
3-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]phenol
CID 81412551
N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708916
3-[1-(2,2-difluoroethylamino)ethyl]phenol
CID 115405831
3-[1-[[4-(dimethylamino)phenyl]methylamino]ethyl]phenol
CID 43205609
3-[1-(1,3-benzothiazol-2-ylmethylamino)ethyl]phenol
CID 43204573
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten?
The IUPAC name of 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten (CID 59930174) is 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten.
What is the SMILES notation for 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten?
The canonical SMILES for 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten is C[C@@H](NC[C@@H]1C[C@H]1c1ccccc1)c1cccc(O)c1.[W].
What is the InChIKey of 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten?
The InChIKey is FTEIEQDFOCCGCR-NMMAEDQESA-N. The full InChI is InChI=1S/C18H21NO.W/c1-13(15-8-5-9-17(20)10-15)19-12-16-11-18(16)14-6-3-2-4-7-14;/h2-10,13,16,18-20H,11-12H2,1H3;/t13-,16+,18+;/m1./s1.
What are the key properties of 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten?
3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten has a molecular weight of 451.21 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten is sourced from PubChem (CID 59930174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).