N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine

C18H30FNO — CID 65180744

IUPACN-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
SMILESCCOCCCC(CNC(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FNO/c1-5-21-12-6-7-16(14-20-18(2,3)4)13-15-8-10-17(19)11-9-15/h8-11,16,20H,5-7,12-14H2,1-4H3
InChIKeyWRHMELIRGYBBQA-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.19
Rot. Bonds9

About N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine

N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine (PubChem CID 65180744) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
PubChem CID65180744
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine
SMILESCCOCCCC(CNC(C)(C)C)Cc1ccc(F)cc1
InChIInChI=1S/C18H30FNO/c1-5-21-12-6-7-16(14-20-18(2,3)4)13-15-8-10-17(19)11-9-15/h8-11,16,20H,5-7,12-14H2,1-4H3
InChIKeyWRHMELIRGYBBQA-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 54.19
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-tert-butyl-4-ethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 82925740
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
N-[4-ethoxy-2-[(4-fluorophenyl)methyl]butyl]cyclopropanamine
CID 62516255
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803
N-[2-fluoro-3-(4-fluorophenyl)propyl]-2-methylpropan-2-amine
CID 107446735
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
N-tert-butyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 55195456
N-tert-butyl-4-methoxy-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62514690
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646
1-(2-chloro-4-ethoxybutyl)-4-fluorobenzene
CID 63015899
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine (CID 65180744) is N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine is CCOCCCC(CNC(C)(C)C)Cc1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine?
The InChIKey is WRHMELIRGYBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-5-21-12-6-7-16(14-20-18(2,3)4)13-15-8-10-17(19)11-9-15/h8-11,16,20H,5-7,12-14H2,1-4H3.
What are the key properties of N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine?
N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-ethoxy-2-[(4-fluorophenyl)methyl]pentan-1-amine is sourced from PubChem (CID 65180744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).