N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine

C17H20FNO — CID 39372695

IUPACN-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-13(2)19-11-14-5-4-8-17(10-14)20-12-15-6-3-7-16(18)9-15/h3-10,13,19H,11-12H2,1-2H3
InChIKeyBLBSMQPVGNWKKA-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.90
Rot. Bonds6

About N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine

N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 39372695) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID39372695
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCc2cccc(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-13(2)19-11-14-5-4-8-17(10-14)20-12-15-6-3-7-16(18)9-15/h3-10,13,19H,11-12H2,1-2H3
InChIKeyBLBSMQPVGNWKKA-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-[[3-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 79697849
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
N-[[3-[(2-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39368949
(1R)-1-(2,4-difluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 41061626
4-[(3-fluorophenyl)methoxy]-N-propan-2-ylaniline
CID 155469561
(2S)-1-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propan-1-ol
CID 155791401
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62321474
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-methoxyiminopropan-2-amine
CID 173136655
N-[[4-[(3-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63498401
N-[[3-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 63942324
3-[(3-fluorophenyl)methoxy]benzenethiol
CID 149048494

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine (CID 39372695) is N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(OCc2cccc(F)c2)c1.
What is the InChIKey of N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is BLBSMQPVGNWKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-13(2)19-11-14-5-4-8-17(10-14)20-12-15-6-3-7-16(18)9-15/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 273.35 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 39372695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).