1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol

C18H23NO2 — CID 83937170

IUPAC1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
SMILESCc1cc(OCc2ccccc2)ccc1CCC(O)CN
InChIInChI=1S/C18H23NO2/c1-14-11-18(21-13-15-5-3-2-4-6-15)10-8-16(14)7-9-17(20)12-19/h2-6,8,10-11,17,20H,7,9,12-13,19H2,1H3
InChIKeyAJWWMSRFKQKGOQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds7

About 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol

1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol (PubChem CID 83937170) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
PubChem CID83937170
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
SMILESCc1cc(OCc2ccccc2)ccc1CCC(O)CN
InChIInChI=1S/C18H23NO2/c1-14-11-18(21-13-15-5-3-2-4-6-15)10-8-16(14)7-9-17(20)12-19/h2-6,8,10-11,17,20H,7,9,12-13,19H2,1H3
InChIKeyAJWWMSRFKQKGOQ-UHFFFAOYSA-N
XLogP2.83
TPSA55.48 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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
CID 83937148
1-(2-methyl-4-phenylmethoxyphenyl)heptan-4-one
CID 83937135
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene
CID 83937167
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
1-amino-4-(3-ethoxyphenyl)butan-2-ol
CID 112517753
(2-methyl-4-phenylmethoxyphenoxy)boronic acid
CID 142688338
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
(1S)-2-amino-1-(2-fluoro-5-phenylmethoxyphenyl)ethanol
CID 129361760
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol?
The IUPAC name of 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol (CID 83937170) is 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol.
What is the SMILES notation for 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol?
The canonical SMILES for 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol is Cc1cc(OCc2ccccc2)ccc1CCC(O)CN.
What is the InChIKey of 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol?
The InChIKey is AJWWMSRFKQKGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-11-18(21-13-15-5-3-2-4-6-15)10-8-16(14)7-9-17(20)12-19/h2-6,8,10-11,17,20H,7,9,12-13,19H2,1H3.
What are the key properties of 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol?
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol is sourced from PubChem (CID 83937170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).