N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine

C19H27FN2 — CID 142832087

IUPACN-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine
SMILESCCNCCc1ccc(F)cc1.NCCCc1ccccc1
InChIInChI=1S/C10H14FN.C9H13N/c1-2-12-8-7-9-3-5-10(11)6-4-9;10-8-4-7-9-5-2-1-3-6-9/h3-6,12H,2,7-8H2,1H3;1-3,5-6H,4,7-8,10H2
InChIKeyGPEKIDZMKASVGI-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.56
Rot. Bonds7

About N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine

N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine (PubChem CID 142832087) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine
PubChem CID142832087
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC NameN-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine
SMILESCCNCCc1ccc(F)cc1.NCCCc1ccccc1
InChIInChI=1S/C10H14FN.C9H13N/c1-2-12-8-7-9-3-5-10(11)6-4-9;10-8-4-7-9-5-2-1-3-6-9/h3-6,12H,2,7-8H2,1H3;1-3,5-6H,4,7-8,10H2
InChIKeyGPEKIDZMKASVGI-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 58997646
3-phenylpropan-1-amine;propane
CID 70273467
benzene;3-phenylpropan-1-amine
CID 174865683
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
N-ethyl-17-phenylheptadecan-1-amine
CID 139804977
N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
N-benzyl-1-phenylmethanamine;3-phenylpropan-1-amine
CID 70449343
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
N-benzyl-2-(4-propylphenyl)ethanamine
CID 68807440
N-[3-(4-fluorophenyl)propyl]aniline
CID 91405958
N-[2-(4-fluorophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115202719

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine (CID 142832087) is N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine is CCNCCc1ccc(F)cc1.NCCCc1ccccc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine?
The InChIKey is GPEKIDZMKASVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.C9H13N/c1-2-12-8-7-9-3-5-10(11)6-4-9;10-8-4-7-9-5-2-1-3-6-9/h3-6,12H,2,7-8H2,1H3;1-3,5-6H,4,7-8,10H2.
What are the key properties of N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine?
N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine has a molecular weight of 302.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenyl)ethanamine;3-phenylpropan-1-amine is sourced from PubChem (CID 142832087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).