2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine

C16H26FNO — CID 79437714

IUPAC2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
SMILESCOCCCC(CNCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H26FNO/c1-13(2)11-18-12-15(5-4-10-19-3)14-6-8-16(17)9-7-14/h6-9,13,15,18H,4-5,10-12H2,1-3H3
InChIKeyQMAPLOPVPJRLRW-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.58
Rot. Bonds9

About 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine

2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine (PubChem CID 79437714) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
PubChem CID79437714
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine
SMILESCOCCCC(CNCC(C)C)c1ccc(F)cc1
InChIInChI=1S/C16H26FNO/c1-13(2)11-18-12-15(5-4-10-19-3)14-6-8-16(17)9-7-14/h6-9,13,15,18H,4-5,10-12H2,1-3H3
InChIKeyQMAPLOPVPJRLRW-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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

2-(4-bromophenyl)-6-methoxy-N-(2-methylpropyl)hexan-1-amine
CID 104649474
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-propan-2-yloxybutan-1-amine
CID 79437882
N-ethyl-2-(4-fluorophenyl)-5-(2-methoxyethoxy)pentan-1-amine
CID 103412592
2-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-N-(2-methylpropyl)butan-1-amine
CID 115943448
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459
2-(4-fluorophenyl)-6-methyl-N-propylheptan-1-amine
CID 83169177
2-(4-bromophenyl)-5-ethoxy-N-(2-methylpropyl)pentan-1-amine
CID 79437803
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583
5-methoxy-2-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 79436710
2-(4-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79437253
2-(4-chlorophenyl)-N-(2-methoxyethyl)-6-methylheptan-1-amine
CID 83169176
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine (CID 79437714) is 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine is COCCCC(CNCC(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is QMAPLOPVPJRLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-13(2)11-18-12-15(5-4-10-19-3)14-6-8-16(17)9-7-14/h6-9,13,15,18H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine?
2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methoxy-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 79437714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).