(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol

C18H23NO2 — CID 29186334

IUPAC(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCc1ccc(COc2ccccc2CNC[C@H](C)O)cc1
InChIInChI=1S/C18H23NO2/c1-14-7-9-16(10-8-14)13-21-18-6-4-3-5-17(18)12-19-11-15(2)20/h3-10,15,19-20H,11-13H2,1-2H3/t15-/m0/s1
InChIKeyVYVRMXAJOYKQQO-HNNXBMFYSA-N
MW285.39 g/mol
LogP3.04
Rot. Bonds7

About (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol

(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 29186334) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID29186334
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESCc1ccc(COc2ccccc2CNC[C@H](C)O)cc1
InChIInChI=1S/C18H23NO2/c1-14-7-9-16(10-8-14)13-21-18-6-4-3-5-17(18)12-19-11-15(2)20/h3-10,15,19-20H,11-13H2,1-2H3/t15-/m0/s1
InChIKeyVYVRMXAJOYKQQO-HNNXBMFYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
(2S)-1-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 29186721
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 110906004
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
1-(4-methoxyphenyl)-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17054326
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332421
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
1-[2-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]propan-2-ol
CID 17054897

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 29186334) is (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol is Cc1ccc(COc2ccccc2CNC[C@H](C)O)cc1.
What is the InChIKey of (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is VYVRMXAJOYKQQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-7-9-16(10-8-14)13-21-18-6-4-3-5-17(18)12-19-11-15(2)20/h3-10,15,19-20H,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 29186334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).