2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol

C18H23NO2 — CID 834073

IUPAC2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(2,14-20)19-12-16-10-6-7-11-17(16)21-13-15-8-4-3-5-9-15/h3-11,19-20H,12-14H2,1-2H3
InChIKeyHXVBXANSENBJAN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds7

About 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol

2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol (PubChem CID 834073) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
PubChem CID834073
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
SMILESCC(C)(CO)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(2,14-20)19-12-16-10-6-7-11-17(16)21-13-15-8-4-3-5-9-15/h3-11,19-20H,12-14H2,1-2H3
InChIKeyHXVBXANSENBJAN-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propan-1-ol
CID 28725565
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17157143
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17331337
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
2-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17289552
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
2-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17206072
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 110906004
2-[(2-ethylphenyl)methylamino]-2-methylpropan-1-ol
CID 62391565
1-[2-[(4-tert-butylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43277189
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722849

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol (CID 834073) is 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol is CC(C)(CO)NCc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
The InChIKey is HXVBXANSENBJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,14-20)19-12-16-10-6-7-11-17(16)21-13-15-8-4-3-5-9-15/h3-11,19-20H,12-14H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol?
2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 834073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).