4-[(2-hydroxypentylamino)-phenylmethyl]phenol

C18H23NO2 — CID 115971945

IUPAC4-[(2-hydroxypentylamino)-phenylmethyl]phenol
SMILESCCCC(O)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-2-6-17(21)13-19-18(14-7-4-3-5-8-14)15-9-11-16(20)12-10-15/h3-5,7-12,17-21H,2,6,13H2,1H3
InChIKeyIRLFHBXPQXZANR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.23
Rot. Bonds7

About 4-[(2-hydroxypentylamino)-phenylmethyl]phenol

4-[(2-hydroxypentylamino)-phenylmethyl]phenol (PubChem CID 115971945) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[(2-hydroxypentylamino)-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[(2-hydroxypentylamino)-phenylmethyl]phenol
PubChem CID115971945
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[(2-hydroxypentylamino)-phenylmethyl]phenol
SMILESCCCC(O)CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C18H23NO2/c1-2-6-17(21)13-19-18(14-7-4-3-5-8-14)15-9-11-16(20)12-10-15/h3-5,7-12,17-21H,2,6,13H2,1H3
InChIKeyIRLFHBXPQXZANR-UHFFFAOYSA-N
XLogP3.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261
4-[[(4-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 66092508
4-[[(2-hydroxy-2-methylbutyl)amino]-phenylmethyl]phenol
CID 65108426
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212
2-(2-hydroxypentylamino)-N-phenylpropanamide
CID 113495789
(2S)-2-amino-N-(2-hydroxypentyl)-2-phenylacetamide
CID 104898437
4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol
CID 103949202
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
1-[1-(4-bromophenyl)ethylamino]pentan-2-ol
CID 111755561
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265
1-(2-hydroxypentyl)-3-(1-phenylethyl)urea
CID 111337741
N-benzhydrylethanamine;ethane
CID 142974710

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxypentylamino)-phenylmethyl]phenol?
The IUPAC name of 4-[(2-hydroxypentylamino)-phenylmethyl]phenol (CID 115971945) is 4-[(2-hydroxypentylamino)-phenylmethyl]phenol.
What is the SMILES notation for 4-[(2-hydroxypentylamino)-phenylmethyl]phenol?
The canonical SMILES for 4-[(2-hydroxypentylamino)-phenylmethyl]phenol is CCCC(O)CNC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[(2-hydroxypentylamino)-phenylmethyl]phenol?
The InChIKey is IRLFHBXPQXZANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-2-6-17(21)13-19-18(14-7-4-3-5-8-14)15-9-11-16(20)12-10-15/h3-5,7-12,17-21H,2,6,13H2,1H3.
What are the key properties of 4-[(2-hydroxypentylamino)-phenylmethyl]phenol?
4-[(2-hydroxypentylamino)-phenylmethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxypentylamino)-phenylmethyl]phenol is sourced from PubChem (CID 115971945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).