4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol

C15H16FNO — CID 43194830

IUPAC4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H16FNO/c1-11(13-4-8-15(18)9-5-13)17-10-12-2-6-14(16)7-3-12/h2-9,11,17-18H,10H2,1H3
InChIKeyPBIKNSVVLKOFAB-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.38
Rot. Bonds4

About 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol

4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol (PubChem CID 43194830) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
PubChem CID43194830
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
SMILESCC(NCc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H16FNO/c1-11(13-4-8-15(18)9-5-13)17-10-12-2-6-14(16)7-3-12/h2-9,11,17-18H,10H2,1H3
InChIKeyPBIKNSVVLKOFAB-UHFFFAOYSA-N
XLogP3.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
(1S)-1-(4-fluorophenyl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 28623639
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
2-[4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenyl]acetic acid
CID 103257154
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
(1R)-N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 96938323
(1R)-N-[(3,4-dimethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347067
5-[[1-(4-fluorophenyl)ethylamino]methyl]-2-methoxyphenol
CID 43180801

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol (CID 43194830) is 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol is CC(NCc1ccc(F)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol?
The InChIKey is PBIKNSVVLKOFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11(13-4-8-15(18)9-5-13)17-10-12-2-6-14(16)7-3-12/h2-9,11,17-18H,10H2,1H3.
What are the key properties of 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol?
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol has a molecular weight of 245.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol is sourced from PubChem (CID 43194830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).