N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine

C17H20FNO — CID 62453982

IUPACN-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-2-11-19-12-14-3-5-15(6-4-14)13-20-17-9-7-16(18)8-10-17/h3-10,19H,2,11-13H2,1H3
InChIKeyPALMZEBWYWCGCM-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.90
Rot. Bonds7

About N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine

N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine (PubChem CID 62453982) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
PubChem CID62453982
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO/c1-2-11-19-12-14-3-5-15(6-4-14)13-20-17-9-7-16(18)8-10-17/h3-10,19H,2,11-13H2,1H3
InChIKeyPALMZEBWYWCGCM-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
4-[(4-fluorophenyl)methoxy]-1-[[4-(propylaminomethyl)phenyl]methoxy]pyridin-2-one
CID 45487392
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 17054354
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 114847795
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[[4-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63500958

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine (CID 62453982) is N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(COc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is PALMZEBWYWCGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-11-19-12-14-3-5-15(6-4-14)13-20-17-9-7-16(18)8-10-17/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine?
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 273.35 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62453982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).