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

C28H29ClFNO — CID 17156022

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C28H28FNO.ClH/c1-2-8-27(23-10-4-3-5-11-23)30-19-26-25-12-7-6-9-22(25)15-18-28(26)31-20-21-13-16-24(29)17-14-21;/h3-7,9-18,27,30H,2,8,19-20H2,1H3;1H
InChIKeyYHOKZLQWTGVOQB-UHFFFAOYSA-N
MW450.00 g/mol
LogP7.61
Rot. Bonds9

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

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride (PubChem CID 17156022) has the molecular formula C28H29ClFNO and a molecular weight of 450.00 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
PubChem CID17156022
Molecular FormulaC28H29ClFNO
Molecular Weight450.00 g/mol
Exact Mass449.19
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
SMILESCCCC(NCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1.Cl
InChIInChI=1S/C28H28FNO.ClH/c1-2-8-27(23-10-4-3-5-11-23)30-19-26-25-12-7-6-9-22(25)15-18-28(26)31-20-21-13-16-24(29)17-14-21;/h3-7,9-18,27,30H,2,8,19-20H2,1H3;1H
InChIKeyYHOKZLQWTGVOQB-UHFFFAOYSA-N
XLogP7.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.00
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17155741
1-phenyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;hydrochloride
CID 17289596
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-3-methylbutan-1-amine
CID 17210543
N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-2-amine;hydrochloride
CID 17155735
N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylethanamine
CID 17054825
N-[(2-butoxynaphthalen-1-yl)methyl]-1-phenylpropan-1-amine
CID 54848983
N',N'-diethyl-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 17215108
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylbutan-1-amine
CID 17155694
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156511

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride (CID 17156022) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride is CCCC(NCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1.Cl.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
The InChIKey is YHOKZLQWTGVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FNO.ClH/c1-2-8-27(23-10-4-3-5-11-23)30-19-26-25-12-7-6-9-22(25)15-18-28(26)31-20-21-13-16-24(29)17-14-21;/h3-7,9-18,27,30H,2,8,19-20H2,1H3;1H.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride has a molecular weight of 450.00 g/mol, XLogP of 7.61, 9 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]naphthalen-1-yl]methyl]-1-phenylbutan-1-amine;hydrochloride is sourced from PubChem (CID 17156022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).