2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine

C16H26FNO — CID 106457125

IUPAC2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCC)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-3-9-18-13-15(8-11-19-10-4-2)14-6-5-7-16(17)12-14/h5-7,12,15,18H,3-4,8-11,13H2,1-2H3
InChIKeyHHTZVAXBWVRIEF-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.73
Rot. Bonds10

About 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine

2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine (PubChem CID 106457125) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
PubChem CID106457125
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
SMILESCCCNCC(CCOCCC)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-3-9-18-13-15(8-11-19-10-4-2)14-6-5-7-16(17)12-14/h5-7,12,15,18H,3-4,8-11,13H2,1-2H3
InChIKeyHHTZVAXBWVRIEF-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.73
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-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
2-(3-bromophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79430248
2-(3-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457152
2-(3-chlorophenyl)-4-(2-methoxyethoxy)-N-propylbutan-1-amine
CID 79443023
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79440969
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
CID 79442641
N-ethyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79440289
2-(2-bromophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457201

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine (CID 106457125) is 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine is CCCNCC(CCOCCC)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine?
The InChIKey is HHTZVAXBWVRIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-3-9-18-13-15(8-11-19-10-4-2)14-6-5-7-16(17)12-14/h5-7,12,15,18H,3-4,8-11,13H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine?
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine is sourced from PubChem (CID 106457125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).