5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

C18H30FNO — CID 65181083

IUPAC5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCOCCCC(CNCC(C)C)Cc1ccccc1F
InChIInChI=1S/C18H30FNO/c1-4-21-11-7-8-16(14-20-13-15(2)3)12-17-9-5-6-10-18(17)19/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3
InChIKeyCRJLCDIHEULGSN-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.05
Rot. Bonds11

About 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine

5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (PubChem CID 65181083) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
PubChem CID65181083
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC Name5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
SMILESCCOCCCC(CNCC(C)C)Cc1ccccc1F
InChIInChI=1S/C18H30FNO/c1-4-21-11-7-8-16(14-20-13-15(2)3)12-17-9-5-6-10-18(17)19/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3
InChIKeyCRJLCDIHEULGSN-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.05
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-ethyl-2-[(2-fluorophenyl)methyl]-4-(2-methylpropoxy)butan-1-amine
CID 106456726
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-[(2-bromophenyl)methyl]-5-ethoxy-N-propan-2-ylpentan-1-amine
CID 65180423
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propylpropan-1-amine
CID 113361847
N-[2-[(2-fluorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 55083352
2-[(2,3-difluorophenyl)methyl]-N-(2-methylpropyl)butan-1-amine
CID 62516240
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
2-[(2-fluorophenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62530350
N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
2-[(2-fluorophenyl)methyl]-N-methyl-4-propoxybutan-1-amine
CID 106456725
4-ethoxy-1-(2-fluorophenyl)butan-2-ol
CID 62607286

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine (CID 65181083) is 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is CCOCCCC(CNCC(C)C)Cc1ccccc1F.
What is the InChIKey of 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is CRJLCDIHEULGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-4-21-11-7-8-16(14-20-13-15(2)3)12-17-9-5-6-10-18(17)19/h5-6,9-10,15-16,20H,4,7-8,11-14H2,1-3H3.
What are the key properties of 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine?
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.05, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 65181083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).