N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine

C18H22FNO — CID 64855274

IUPACN-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cc(C)ccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-3-10-20-12-15-5-7-16(8-6-15)13-21-18-11-14(2)4-9-17(18)19/h4-9,11,20H,3,10,12-13H2,1-2H3
InChIKeyQNOCCNJGRYQARA-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.21
Rot. Bonds7

About N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine

N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine (PubChem CID 64855274) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
PubChem CID64855274
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COc2cc(C)ccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-3-10-20-12-15-5-7-16(8-6-15)13-21-18-11-14(2)4-9-17(18)19/h4-9,11,20H,3,10,12-13H2,1-2H3
InChIKeyQNOCCNJGRYQARA-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.21
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-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[3-[(2-fluoro-5-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 64854897
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[4-[(3,4-difluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 82918137
N-[[4-[(2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62452911
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 64856002
N-ethyl-2-(2-fluoro-5-methylphenoxy)ethanamine
CID 64855008
N-[[4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 63550749

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine (CID 64855274) is N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine is CCCNCc1ccc(COc2cc(C)ccc2F)cc1.
What is the InChIKey of N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is QNOCCNJGRYQARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-3-10-20-12-15-5-7-16(8-6-15)13-21-18-11-14(2)4-9-17(18)19/h4-9,11,20H,3,10,12-13H2,1-2H3.
What are the key properties of N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine?
N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 64855274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).