2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol

C20H27NO2 — CID 83932910

IUPAC2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H27NO2/c1-2-18(12-17(13-21)14-22)19-8-10-20(11-9-19)23-15-16-6-4-3-5-7-16/h3-11,17-18,22H,2,12-15,21H2,1H3
InChIKeyXVTHGNGDCRXYCX-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.72
Rot. Bonds9

About 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol

2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol (PubChem CID 83932910) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
PubChem CID83932910
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
SMILESCCC(CC(CN)CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H27NO2/c1-2-18(12-17(13-21)14-22)19-8-10-20(11-9-19)23-15-16-6-4-3-5-7-16/h3-11,17-18,22H,2,12-15,21H2,1H3
InChIKeyXVTHGNGDCRXYCX-UHFFFAOYSA-N
XLogP3.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenylmethoxyphenyl)propan-1-amine
CID 16795854
1-hex-5-yn-3-yl-4-phenylmethoxybenzene
CID 83932960
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
2-(aminomethyl)-3-(3-phenylmethoxyphenyl)propan-1-ol
CID 82350302
(3R)-4-hydroxy-3-(4-phenylmethoxyphenyl)butanenitrile
CID 142968538
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972
2-(aminomethyl)-4-(4-propylsulfonylphenyl)hexan-1-ol
CID 83927291
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
1-(3-bromopentan-2-yl)-4-phenylmethoxybenzene
CID 79308109
3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 83932925
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
CID 118954631

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol (CID 83932910) is 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol is CCC(CC(CN)CO)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol?
The InChIKey is XVTHGNGDCRXYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-2-18(12-17(13-21)14-22)19-8-10-20(11-9-19)23-15-16-6-4-3-5-7-16/h3-11,17-18,22H,2,12-15,21H2,1H3.
What are the key properties of 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol?
2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol has a molecular weight of 313.44 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol is sourced from PubChem (CID 83932910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).