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

C21H23ClFNO — CID 17289991

IUPACN-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1c(OCc2ccccc2F)ccc2ccccc12.Cl
InChIInChI=1S/C21H22FNO.ClH/c1-2-13-23-14-19-18-9-5-3-7-16(18)11-12-21(19)24-15-17-8-4-6-10-20(17)22;/h3-12,23H,2,13-15H2,1H3;1H
InChIKeyKQZXTBCWHWODJS-UHFFFAOYSA-N
MW359.87 g/mol
LogP5.48
Rot. Bonds7

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

N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride (PubChem CID 17289991) has the molecular formula C21H23ClFNO and a molecular weight of 359.87 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
PubChem CID17289991
Molecular FormulaC21H23ClFNO
Molecular Weight359.87 g/mol
Exact Mass359.15
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride
SMILESCCCNCc1c(OCc2ccccc2F)ccc2ccccc12.Cl
InChIInChI=1S/C21H22FNO.ClH/c1-2-13-23-14-19-18-9-5-3-7-16(18)11-12-21(19)24-15-17-8-4-6-10-20(17)22;/h3-12,23H,2,13-15H2,1H3;1H
InChIKeyKQZXTBCWHWODJS-UHFFFAOYSA-N
XLogP5.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 55.48
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-ethyl-N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215574
N'-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N-methylpropane-1,3-diamine
CID 4721072
N',N'-diethyl-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propane-1,3-diamine
CID 17215107
1-(4-fluorophenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]methanamine;hydrochloride
CID 17293230
2-[2-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]ethoxy]ethanol
CID 17155107
(2S)-1-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]propan-2-ol
CID 7632508
2-(3,4-dimethoxyphenyl)-N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 4715843
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-pyridin-2-ylmethanamine;hydrochloride
CID 17295594
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724157
2-(2-fluorophenyl)-N-[[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methyl]ethanamine
CID 17054879
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17291638
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]cyclopropanamine
CID 4721070

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride (CID 17289991) is N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride is CCCNCc1c(OCc2ccccc2F)ccc2ccccc12.Cl.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride?
The InChIKey is KQZXTBCWHWODJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO.ClH/c1-2-13-23-14-19-18-9-5-3-7-16(18)11-12-21(19)24-15-17-8-4-6-10-20(17)22;/h3-12,23H,2,13-15H2,1H3;1H.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride?
N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride has a molecular weight of 359.87 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 17289991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).