N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine

C17H28FNO — CID 107696863

IUPACN-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCOc1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C17H28FNO/c1-4-5-6-7-10-20-17-9-8-16(18)11-15(17)13-19-12-14(2)3/h8-9,11,14,19H,4-7,10,12-13H2,1-3H3
InChIKeyLSDPFFVEKIGHPB-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.53
Rot. Bonds10

About N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 107696863) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID107696863
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC NameN-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCCCCCCOc1ccc(F)cc1CNCC(C)C
InChIInChI=1S/C17H28FNO/c1-4-5-6-7-10-20-17-9-8-16(18)11-15(17)13-19-12-14(2)3/h8-9,11,14,19H,4-7,10,12-13H2,1-3H3
InChIKeyLSDPFFVEKIGHPB-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.53
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-[[5-fluoro-2-(2-propoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696798
N-[(5-chloro-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486010
N-[(5-fluoro-2-heptoxyphenyl)methyl]-2-methoxyethanamine
CID 107696956
N-[[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107696867
N-[[5-fluoro-2-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 107696827
N-[[5-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 107696753
N-[(4-heptoxy-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 81254076
(5-fluoro-2-hexoxyphenyl)methanol
CID 91657337
N-[(2-hexoxy-3-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63487393
N-[[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 107695842
N-[[5-fluoro-2-(3-fluoropropoxy)phenyl]methyl]propan-1-amine
CID 107695992
1-[(2-heptoxyphenyl)methylamino]propan-2-ol
CID 54849266

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine (CID 107696863) is N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine is CCCCCCOc1ccc(F)cc1CNCC(C)C.
What is the InChIKey of N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is LSDPFFVEKIGHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-4-5-6-7-10-20-17-9-8-16(18)11-15(17)13-19-12-14(2)3/h8-9,11,14,19H,4-7,10,12-13H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 281.41 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-hexoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107696863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).