4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol

C18H23NO3 — CID 11565688

IUPAC4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
SMILESCOc1cccc(COCC(O)(CCN)c2ccccc2)c1
InChIInChI=1S/C18H23NO3/c1-21-17-9-5-6-15(12-17)13-22-14-18(20,10-11-19)16-7-3-2-4-8-16/h2-9,12,20H,10-11,13-14,19H2,1H3
InChIKeyFBUVDKIWZZAXEO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.45
Rot. Bonds8

About 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol

4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol (PubChem CID 11565688) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
PubChem CID11565688
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol
SMILESCOc1cccc(COCC(O)(CCN)c2ccccc2)c1
InChIInChI=1S/C18H23NO3/c1-21-17-9-5-6-15(12-17)13-22-14-18(20,10-11-19)16-7-3-2-4-8-16/h2-9,12,20H,10-11,13-14,19H2,1H3
InChIKeyFBUVDKIWZZAXEO-UHFFFAOYSA-N
XLogP2.45
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-phenyl-1-phenylmethoxybutan-2-ol
CID 11514582
(2S)-4-amino-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylbutan-2-ol
CID 11625637
4-amino-1-[(4-bromophenyl)methoxy]-2-phenylbutan-2-ol
CID 11581094
1-methoxy-3-(2,2,2-trifluoroethoxymethyl)benzene
CID 70661162
2-[(3-methoxyphenyl)methoxy]ethanamine;hydrochloride
CID 71757143
methyl (2R)-2-(3-methoxyphenyl)-2-methyl-3-phenylmethoxypropanoate
CID 11130824
3-[(3-methoxyphenyl)methoxymethyl]pentan-3-amine
CID 64571644
4-amino-1-[(2-bromophenyl)methoxy]-2-phenylbutan-2-ol
CID 11552038
[1-[(3-methoxyphenyl)methoxy]-2-phenylpropan-2-yl]oxymethyl-trimethylstannane
CID 166450179
3-(aminomethyl)-4-(3-methoxyphenyl)-3-phenylbutan-2-ol
CID 66432579
1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol?
The IUPAC name of 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol (CID 11565688) is 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol.
What is the SMILES notation for 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol?
The canonical SMILES for 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol is COc1cccc(COCC(O)(CCN)c2ccccc2)c1.
What is the InChIKey of 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol?
The InChIKey is FBUVDKIWZZAXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-17-9-5-6-15(12-17)13-22-14-18(20,10-11-19)16-7-3-2-4-8-16/h2-9,12,20H,10-11,13-14,19H2,1H3.
What are the key properties of 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol?
4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(3-methoxyphenyl)methoxy]-2-phenylbutan-2-ol is sourced from PubChem (CID 11565688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).