5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine

C16H26FNO — CID 65305831

IUPAC5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCCCCCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-13-11-15(12-14(2)16(13)17)7-5-4-6-8-18-9-10-19-3/h11-12,18H,4-10H2,1-3H3
InChIKeyYGMLHBWAKAOJHH-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.39
Rot. Bonds9

About 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine

5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine (PubChem CID 65305831) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine.

Molecular Properties

Compound Name5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
PubChem CID65305831
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
SMILESCOCCNCCCCCc1cc(C)c(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-13-11-15(12-14(2)16(13)17)7-5-4-6-8-18-9-10-19-3/h11-12,18H,4-10H2,1-3H3
InChIKeyYGMLHBWAKAOJHH-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.39
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-(2-methoxyethyl)-5-(4-methoxy-3-methylphenyl)pentan-1-amine
CID 65305186
N-(2-methoxyethyl)-5-(4-methylphenyl)pentan-1-amine
CID 65300901
4-(4-fluoro-3,5-dimethylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303435
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(3-methoxypropoxy)ethanamine
CID 103179199
5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
CID 83067861
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
4-(2-chloro-4,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 113319723
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
6-(5-bromo-4-methylthiophen-2-yl)-N-(2-methoxyethyl)hexan-1-amine
CID 79992354
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
4-(4-chloro-2,5-dimethylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 65302883

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
The IUPAC name of 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine (CID 65305831) is 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine.
What is the SMILES notation for 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
The canonical SMILES for 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine is COCCNCCCCCc1cc(C)c(F)c(C)c1.
What is the InChIKey of 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
The InChIKey is YGMLHBWAKAOJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-13-11-15(12-14(2)16(13)17)7-5-4-6-8-18-9-10-19-3/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine?
5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine is sourced from PubChem (CID 65305831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).