[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate

C19H23NO3 — CID 70522691

IUPAC[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate
SMILESCC(=O)OC(c1ccc(CN)cc1)c1ccc(CCCO)cc1
InChIInChI=1S/C19H23NO3/c1-14(22)23-19(18-10-6-16(13-20)7-11-18)17-8-4-15(5-9-17)3-2-12-21/h4-11,19,21H,2-3,12-13,20H2,1H3
InChIKeyOMSBSVSXKOIUFT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.72
Rot. Bonds7

About [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate

[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate (PubChem CID 70522691) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate.

Molecular Properties

Compound Name[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate
PubChem CID70522691
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate
SMILESCC(=O)OC(c1ccc(CN)cc1)c1ccc(CCCO)cc1
InChIInChI=1S/C19H23NO3/c1-14(22)23-19(18-10-6-16(13-20)7-11-18)17-8-4-15(5-9-17)3-2-12-21/h4-11,19,21H,2-3,12-13,20H2,1H3
InChIKeyOMSBSVSXKOIUFT-UHFFFAOYSA-N
XLogP2.72
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-[4-(aminomethyl)phenyl]but-3-enyl] acetate
CID 174735111
propan-2-yl 2-[4-(aminomethyl)phenyl]propanoate
CID 174916032
[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
CID 15723385
methyl (2R)-2-[4-(4-hydroxybutyl)phenyl]propanoate
CID 129363390
benzhydryl acetate;hydrazine
CID 122610283
3-amino-3-[4-(3-hydroxypropyl)phenyl]propanoic acid
CID 117115833
benzene;ethyl acetate;3-phenylpropan-1-ol
CID 158644115
bis[(4-pentylphenyl)-phenylmethyl] carbonate
CID 67179392
3-[4-(1,1,3,3-tetramethoxypropan-2-yl)phenyl]propan-1-ol
CID 139985917
[4-(aminomethyl)phenyl] 2-acetyloxypropanoate
CID 91155705
3-[4-[[4-(3-hydroxypropyl)phenyl]methyl]phenyl]propan-1-ol
CID 91082526
methyl (2S)-2-[4-(4-hydroxybutyl)phenyl]pentanoate
CID 129385029

Frequently Asked Questions

What is the IUPAC name of [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate?
The IUPAC name of [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate (CID 70522691) is [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate.
What is the SMILES notation for [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate?
The canonical SMILES for [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate is CC(=O)OC(c1ccc(CN)cc1)c1ccc(CCCO)cc1.
What is the InChIKey of [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate?
The InChIKey is OMSBSVSXKOIUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(22)23-19(18-10-6-16(13-20)7-11-18)17-8-4-15(5-9-17)3-2-12-21/h4-11,19,21H,2-3,12-13,20H2,1H3.
What are the key properties of [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate?
[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate has a molecular weight of 313.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate is sourced from PubChem (CID 70522691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).