N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine

C18H24FN — CID 65306558

IUPACN-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
SMILESCCNCCCCCCc1ccc(F)c2ccccc12
InChIInChI=1S/C18H24FN/c1-2-20-14-8-4-3-5-9-15-12-13-18(19)17-11-7-6-10-16(15)17/h6-7,10-13,20H,2-5,8-9,14H2,1H3
InChIKeyOKRPQSKKDKKYBW-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.69
Rot. Bonds8

About N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine

N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine (PubChem CID 65306558) has the molecular formula C18H24FN and a molecular weight of 273.40 g/mol. Its IUPAC name is N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
PubChem CID65306558
Molecular FormulaC18H24FN
Molecular Weight273.40 g/mol
Exact Mass273.19
IUPAC NameN-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
SMILESCCNCCCCCCc1ccc(F)c2ccccc12
InChIInChI=1S/C18H24FN/c1-2-20-14-8-4-3-5-9-15-12-13-18(19)17-11-7-6-10-16(15)17/h6-7,10-13,20H,2-5,8-9,14H2,1H3
InChIKeyOKRPQSKKDKKYBW-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305418
5-(4-fluoronaphthalen-1-yl)-N-propan-2-ylpentan-1-amine
CID 65305205
4-(4-chloronaphthalen-1-yl)-N-ethylbutan-1-amine
CID 79597058
N-ethyl-5-(4-fluoronaphthalen-1-yl)-3-methylpentan-1-amine
CID 65303657
6-(4-chloronaphthalen-1-yl)-N-propylhexan-1-amine
CID 79593269
1-hexyl-4-propylnaphthalene
CID 173269452
N-ethyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303375
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
1-heptyl-4-[3-(4-heptylnaphthalen-1-yl)propyl]naphthalene
CID 157140020
1-fluoro-5-propylnaphthalene
CID 143275008
N-ethyl-3-(7-fluoro-1H-indol-3-yl)propan-1-amine
CID 96672189
5-(4-chloronaphthalen-1-yl)-N-(2-methoxyethyl)pentan-1-amine
CID 79593271

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine?
The IUPAC name of N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine (CID 65306558) is N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine.
What is the SMILES notation for N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine?
The canonical SMILES for N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine is CCNCCCCCCc1ccc(F)c2ccccc12.
What is the InChIKey of N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine?
The InChIKey is OKRPQSKKDKKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN/c1-2-20-14-8-4-3-5-9-15-12-13-18(19)17-11-7-6-10-16(15)17/h6-7,10-13,20H,2-5,8-9,14H2,1H3.
What are the key properties of N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine?
N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine has a molecular weight of 273.40 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine is sourced from PubChem (CID 65306558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).