4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol

C18H21F2NO2 — CID 119122210

IUPAC4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H21F2NO2/c1-13(2-3-14-4-8-16(22)9-5-14)21-12-15-6-10-17(11-7-15)23-18(19)20/h4-11,13,18,21-22H,2-3,12H2,1H3
InChIKeyPWLCNCMFZJOYBD-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.10
Rot. Bonds8

About 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol

4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol (PubChem CID 119122210) has the molecular formula C18H21F2NO2 and a molecular weight of 321.37 g/mol. Its IUPAC name is 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
PubChem CID119122210
Molecular FormulaC18H21F2NO2
Molecular Weight321.37 g/mol
Exact Mass321.15
IUPAC Name4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H21F2NO2/c1-13(2-3-14-4-8-16(22)9-5-14)21-12-15-6-10-17(11-7-15)23-18(19)20/h4-11,13,18,21-22H,2-3,12H2,1H3
InChIKeyPWLCNCMFZJOYBD-UHFFFAOYSA-N
XLogP4.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]methyl]benzoic acid
CID 122036120
N-[[4-(difluoromethoxy)phenyl]methyl]pentan-2-amine
CID 43177714
4-[1-[[4-(difluoromethoxy)phenyl]methylamino]ethyl]phenol
CID 43205404
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[4-(difluoromethoxy)phenyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 43185229
2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]acetic acid
CID 43247467
N-but-2-ynyl-4-[4-(difluoromethoxy)phenyl]butan-2-amine
CID 115896886
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(furan-2-yl)butan-2-amine
CID 43182373
4-[[4-(4-hydroxyphenyl)butan-2-ylamino]methyl]benzamide
CID 119122196
(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
CID 114987010
4-[4-(difluoromethoxy)phenyl]-N-[(2-methoxy-4-pyridinyl)methyl]butan-2-amine
CID 119164981
N'-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]propane-1,3-diamine
CID 60889875

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol?
The IUPAC name of 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol (CID 119122210) is 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol?
The InChIKey is PWLCNCMFZJOYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2/c1-13(2-3-14-4-8-16(22)9-5-14)21-12-15-6-10-17(11-7-15)23-18(19)20/h4-11,13,18,21-22H,2-3,12H2,1H3.
What are the key properties of 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol?
4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol has a molecular weight of 321.37 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[4-(difluoromethoxy)phenyl]methylamino]butyl]phenol is sourced from PubChem (CID 119122210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).