N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine

C18H22FNO — CID 4722043

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-2-3-12-20-13-16-6-4-5-7-18(16)21-14-15-8-10-17(19)11-9-15/h4-11,20H,2-3,12-14H2,1H3
InChIKeyNXZSGHHQFAWPNY-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.29
Rot. Bonds8

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine (PubChem CID 4722043) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
PubChem CID4722043
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
SMILESCCCCNCc1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C18H22FNO/c1-2-3-12-20-13-16-6-4-5-7-18(16)21-14-15-8-10-17(19)11-9-15/h4-11,20H,2-3,12-14H2,1H3
InChIKeyNXZSGHHQFAWPNY-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.29
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-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716600
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722045
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
2-(2-fluorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 4718343
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]heptan-1-amine
CID 4716941
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine;hydrochloride
CID 17291134
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
2-[2-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethoxy]ethanol
CID 17155194
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17292514
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289404

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine (CID 4722043) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine is CCCCNCc1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine?
The InChIKey is NXZSGHHQFAWPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-3-12-20-13-16-6-4-5-7-18(16)21-14-15-8-10-17(19)11-9-15/h4-11,20H,2-3,12-14H2,1H3.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine is sourced from PubChem (CID 4722043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).