N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine

C18H24FNO — CID 81107375

IUPACN-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine
SMILESCC(C)NC(C)c1ccc2ccccc2c1OCCCF
InChIInChI=1S/C18H24FNO/c1-13(2)20-14(3)16-10-9-15-7-4-5-8-17(15)18(16)21-12-6-11-19/h4-5,7-10,13-14,20H,6,11-12H2,1-3H3
InChIKeyIHQRRXVNXSXKIG-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.64
Rot. Bonds7

About N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine

N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine (PubChem CID 81107375) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine
PubChem CID81107375
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine
SMILESCC(C)NC(C)c1ccc2ccccc2c1OCCCF
InChIInChI=1S/C18H24FNO/c1-13(2)20-14(3)16-10-9-15-7-4-5-8-17(15)18(16)21-12-6-11-19/h4-5,7-10,13-14,20H,6,11-12H2,1-3H3
InChIKeyIHQRRXVNXSXKIG-UHFFFAOYSA-N
XLogP4.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.64
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-[1-[1-(2,2-difluoroethoxy)naphthalen-2-yl]ethyl]propan-2-amine
CID 60921222
(1R)-1-[1-(2-fluoroethoxy)naphthalen-2-yl]ethanol
CID 80694280
N-[1-(1-propoxynaphthalen-2-yl)ethyl]cyclopropanamine
CID 43475308
1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine
CID 43475222
N-[1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethyl]propan-1-amine
CID 43475279
N-[1-[1-(2-methylpropoxy)naphthalen-2-yl]ethyl]cyclopropanamine
CID 43475302
1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
CID 82926079
(1S)-1-(1-hexoxynaphthalen-2-yl)ethanol
CID 78944606
1-[1-(2-methoxyethoxy)naphthalen-2-yl]ethanol
CID 43504354
(1R)-1-[1-[2-(trifluoromethoxy)ethoxy]naphthalen-2-yl]ethanol
CID 79014754
1-[1-[(E)-but-2-enoxy]naphthalen-2-yl]-N-methylethanamine
CID 60888843
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine (CID 81107375) is N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine is CC(C)NC(C)c1ccc2ccccc2c1OCCCF.
What is the InChIKey of N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine?
The InChIKey is IHQRRXVNXSXKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-13(2)20-14(3)16-10-9-15-7-4-5-8-17(15)18(16)21-12-6-11-19/h4-5,7-10,13-14,20H,6,11-12H2,1-3H3.
What are the key properties of N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine?
N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine has a molecular weight of 289.39 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-fluoropropoxy)naphthalen-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 81107375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).