N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride

C22H23ClFNO — CID 17054404

IUPACN-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
SMILESCc1ccc(COc2ccc(CNCc3ccc(F)cc3)cc2)cc1.Cl
InChIInChI=1S/C22H22FNO.ClH/c1-17-2-4-20(5-3-17)16-25-22-12-8-19(9-13-22)15-24-14-18-6-10-21(23)11-7-18;/h2-13,24H,14-16H2,1H3;1H
InChIKeyGACXZSOASAXMBK-UHFFFAOYSA-N
MW371.88 g/mol
LogP5.42
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride

N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride (PubChem CID 17054404) has the molecular formula C22H23ClFNO and a molecular weight of 371.88 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
PubChem CID17054404
Molecular FormulaC22H23ClFNO
Molecular Weight371.88 g/mol
Exact Mass371.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
SMILESCc1ccc(COc2ccc(CNCc3ccc(F)cc3)cc2)cc1.Cl
InChIInChI=1S/C22H22FNO.ClH/c1-17-2-4-20(5-3-17)16-25-22-12-8-19(9-13-22)15-24-14-18-6-10-21(23)11-7-18;/h2-13,24H,14-16H2,1H3;1H
InChIKeyGACXZSOASAXMBK-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.88
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]methanamine;hydrochloride
CID 17292549
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine
CID 17054354
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]heptan-1-amine;hydrochloride
CID 17054378
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[(4-fluorophenyl)methyl]-1-[4-(2-methylpropoxy)phenyl]methanamine
CID 39389632
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 17054761
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 17055614

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride (CID 17054404) is N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride is Cc1ccc(COc2ccc(CNCc3ccc(F)cc3)cc2)cc1.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride?
The InChIKey is GACXZSOASAXMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO.ClH/c1-17-2-4-20(5-3-17)16-25-22-12-8-19(9-13-22)15-24-14-18-6-10-21(23)11-7-18;/h2-13,24H,14-16H2,1H3;1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride?
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride has a molecular weight of 371.88 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 17054404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).