1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride

C25H22ClF2NO — CID 17293230

IUPAC1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1
InChIInChI=1S/C25H21F2NO.ClH/c26-21-12-9-18(10-13-21)15-28-16-23-22-7-3-1-5-19(22)11-14-25(23)29-17-20-6-2-4-8-24(20)27;/h1-14,28H,15-17H2;1H
InChIKeyKFGMRPYQCBYRGV-UHFFFAOYSA-N
MW425.91 g/mol
LogP6.41
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride

1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride (PubChem CID 17293230) has the molecular formula C25H22ClF2NO and a molecular weight of 425.91 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
PubChem CID17293230
Molecular FormulaC25H22ClF2NO
Molecular Weight425.91 g/mol
Exact Mass425.14
IUPAC Name1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
SMILESCl.Fc1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1
InChIInChI=1S/C25H21F2NO.ClH/c26-21-12-9-18(10-13-21)15-28-16-23-22-7-3-1-5-19(22)11-14-25(23)29-17-20-6-2-4-8-24(20)27;/h1-14,28H,15-17H2;1H
InChIKeyKFGMRPYQCBYRGV-UHFFFAOYSA-N
XLogP6.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.91
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
CID 17289991
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 17295594
N-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
CID 4721072
1-(4-fluorophenyl)-N-[(2-pentoxynaphthalen-1-yl)methyl]methanamine
CID 54803956
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293162
2-(3,4-dimethoxyphenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4715843
2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
CID 17155107
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride (CID 17293230) is 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride is Cl.Fc1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
The InChIKey is KFGMRPYQCBYRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2NO.ClH/c26-21-12-9-18(10-13-21)15-28-16-23-22-7-3-1-5-19(22)11-14-25(23)29-17-20-6-2-4-8-24(20)27;/h1-14,28H,15-17H2;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride?
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride has a molecular weight of 425.91 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 17293230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).