N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine

C17H19F2NO — CID 105402373

IUPACN-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H19F2NO/c1-2-6-20-11-13-4-3-5-17(9-13)21-12-14-7-15(18)10-16(19)8-14/h3-5,7-10,20H,2,6,11-12H2,1H3
InChIKeyRZRCDEZZXSVZJN-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.04
Rot. Bonds7

About N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine

N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 105402373) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID105402373
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC NameN-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(OCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C17H19F2NO/c1-2-6-20-11-13-4-3-5-17(9-13)21-12-14-7-15(18)10-16(19)8-14/h3-5,7-10,20H,2,6,11-12H2,1H3
InChIKeyRZRCDEZZXSVZJN-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.04
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-[[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63500797
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800
1-[(3-ethylphenoxy)methyl]-3,5-difluorobenzene
CID 105409859
N-[[3-[(3-bromo-5-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 81313712
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
N-[[3-[(4-bromo-2-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63501140
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 39368953
N-[[3-[(3,4-dimethylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63496452
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N',N'-diethyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 4720658
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290892
N',N'-dibutyl-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]propane-1,3-diamine;dihydrochloride
CID 17214569

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine (CID 105402373) is N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCc2cc(F)cc(F)c2)c1.
What is the InChIKey of N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is RZRCDEZZXSVZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-2-6-20-11-13-4-3-5-17(9-13)21-12-14-7-15(18)10-16(19)8-14/h3-5,7-10,20H,2,6,11-12H2,1H3.
What are the key properties of N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 105402373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).