1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol

C18H23NO2 — CID 66336102

IUPAC1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
SMILESCCNCC(C)(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-19-13-18(2,20)14-21-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyJWMVEENQZIKPGD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds7

About 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol

1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 66336102) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
PubChem CID66336102
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol
SMILESCCNCC(C)(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-19-13-18(2,20)14-21-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,19-20H,3,13-14H2,1-2H3
InChIKeyJWMVEENQZIKPGD-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethylamino)-3-(4-iodophenoxy)-2-methylpropan-2-ol
CID 66335040
3-[(4-phenylphenoxy)methyl]pentan-3-ol
CID 114496033
1-(2-tert-butylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66335927
1-(ethylamino)-2-methyl-3-phenylmethoxypropan-2-ol
CID 66334873
1-(ethylamino)-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 66335781
1-(4-chloro-3,5-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336408
2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
CID 79629052
1-(1-bromonaphthalen-2-yl)oxy-3-(ethylamino)-2-methylpropan-2-ol
CID 66335501
2-methyl-1-(4-propan-2-ylphenoxy)-3-(propylamino)propan-2-ol
CID 66334410
1-(3-bromo-2,2-dimethylpropoxy)-4-phenylbenzene
CID 64995461
2,2-dimethyl-3-(4-phenylphenoxy)propan-1-amine
CID 79018967
1-[(5-chloro-3-pyridinyl)oxy]-3-(ethylamino)-2-methylpropan-2-ol
CID 66335510

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol (CID 66336102) is 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol is CCNCC(C)(O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is JWMVEENQZIKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-19-13-18(2,20)14-21-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,19-20H,3,13-14H2,1-2H3.
What are the key properties of 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol?
1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methyl-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 66336102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).