4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol

C15H17NO2 — CID 174965062

IUPAC4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol
SMILESNCc1ccccc1CCc1ccc(O)cc1O
InChIInChI=1S/C15H17NO2/c16-10-13-4-2-1-3-11(13)5-6-12-7-8-14(17)9-15(12)18/h1-4,7-9,17-18H,5-6,10,16H2
InChIKeyYIORZXSFPQZIDL-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.34
Rot. Bonds4

About 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol

4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol (PubChem CID 174965062) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol
PubChem CID174965062
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol
SMILESNCc1ccccc1CCc1ccc(O)cc1O
InChIInChI=1S/C15H17NO2/c16-10-13-4-2-1-3-11(13)5-6-12-7-8-14(17)9-15(12)18/h1-4,7-9,17-18H,5-6,10,16H2
InChIKeyYIORZXSFPQZIDL-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
4-(2-phenylethyl)benzene-1,3-diol;hydrate
CID 174818892
2-[2-(2,4-dihydroxyphenyl)ethyl]-6-hydroxybenzoic acid
CID 24886444
2-(aminomethyl)phenol;methane
CID 158060419
CID 175749710
CID 175749710
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
2-[[2-(aminomethyl)phenyl]methyl]phenol
CID 174458594
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
anthracene;4-octadecylbenzene-1,3-diol
CID 88648035
4-(fluoromethyl)benzene-1,3-diol
CID 91883667

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol?
The IUPAC name of 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol (CID 174965062) is 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol is NCc1ccccc1CCc1ccc(O)cc1O.
What is the InChIKey of 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol?
The InChIKey is YIORZXSFPQZIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c16-10-13-4-2-1-3-11(13)5-6-12-7-8-14(17)9-15(12)18/h1-4,7-9,17-18H,5-6,10,16H2.
What are the key properties of 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol?
4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol has a molecular weight of 243.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(aminomethyl)phenyl]ethyl]benzene-1,3-diol is sourced from PubChem (CID 174965062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).