5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine

C16H26FNO — CID 65305492

IUPAC5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCOc1ccc(CCCCCNCC(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-13(2)12-18-10-6-4-5-7-14-8-9-16(19-3)15(17)11-14/h8-9,11,13,18H,4-7,10,12H2,1-3H3
InChIKeySEISGEIVNIAFPU-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.79
Rot. Bonds9

About 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine

5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65305492) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID65305492
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCOc1ccc(CCCCCNCC(C)C)cc1F
InChIInChI=1S/C16H26FNO/c1-13(2)12-18-10-6-4-5-7-14-8-9-16(19-3)15(17)11-14/h8-9,11,13,18H,4-7,10,12H2,1-3H3
InChIKeySEISGEIVNIAFPU-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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-[2-(3-fluoro-4-methoxyphenyl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65303172
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
N'-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55091045
4-(3-fluoro-4-methoxyphenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034908
N-[6-(3-fluoro-4-methoxyphenyl)hexyl]cyclopropanamine
CID 65306006
4-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylbutan-2-amine
CID 112518328
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195380
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662891
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252560
5-(3-fluoro-4-methoxyphenyl)-N-methylpentan-2-amine
CID 64503531
3-[2-(3-fluoro-4-methoxyphenyl)ethylamino]propane-1-thiol
CID 115225090
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine (CID 65305492) is 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine is COc1ccc(CCCCCNCC(C)C)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is SEISGEIVNIAFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-13(2)12-18-10-6-4-5-7-14-8-9-16(19-3)15(17)11-14/h8-9,11,13,18H,4-7,10,12H2,1-3H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65305492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).