N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine

C15H24FNO — CID 114829888

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
SMILESCCCC(COC)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-4-5-15(11-18-3)17-12(2)10-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyKZNTUZLPJIALCG-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.16
Rot. Bonds8

About N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine

N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine (PubChem CID 114829888) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
PubChem CID114829888
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine
SMILESCCCC(COC)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-4-5-15(11-18-3)17-12(2)10-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3
InChIKeyKZNTUZLPJIALCG-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)propan-2-yl]octan-4-amine
CID 106023214
N-[1-(3-fluorophenyl)propan-2-yl]-1-methoxybutan-2-amine
CID 115722358
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxy-2-methylpropan-1-amine
CID 115712747
N-[1-(4-fluorophenyl)propan-2-yl]-1-phenylbutan-1-amine
CID 63462583
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]hexanoate
CID 104928180
3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 55142071
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 63008352
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylbutanoate
CID 114828492

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine (CID 114829888) is N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine is CCCC(COC)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine?
The InChIKey is KZNTUZLPJIALCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-5-15(11-18-3)17-12(2)10-13-6-8-14(16)9-7-13/h6-9,12,15,17H,4-5,10-11H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-1-methoxypentan-2-amine is sourced from PubChem (CID 114829888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).