N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine

C15H24FNO — CID 114013330

IUPACN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC(C)CCC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-4-6-12(3)18-15-8-7-13(10-14(15)16)11-17-9-5-2/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyXISOAKXKCQYMBI-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.89
Rot. Bonds8

About N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine

N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 114013330) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID114013330
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(OC(C)CCC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-4-6-12(3)18-15-8-7-13(10-14(15)16)11-17-9-5-2/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyXISOAKXKCQYMBI-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.89
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-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107891159
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]-2-methylpropan-2-amine
CID 107891161
N-[[3-fluoro-4-(2-methylpentoxy)phenyl]methyl]propan-1-amine
CID 107687215
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308
N-[[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107687145
N-[[4-(3,5-dimethylphenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43283078
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304
2-[2-bromo-4-(propylaminomethyl)phenoxy]propan-1-ol
CID 114266685
1,1,1-trifluoro-3-[2-fluoro-4-(propylaminomethyl)phenoxy]propan-2-ol
CID 107687401

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine (CID 114013330) is N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine is CCCNCc1ccc(OC(C)CCC)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is XISOAKXKCQYMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-6-12(3)18-15-8-7-13(10-14(15)16)11-17-9-5-2/h7-8,10,12,17H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine?
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 114013330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).