N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

C18H30FNO — CID 107457094

IUPACN-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCCCCOCc1cc(CNCC(C)C)ccc1F
InChIInChI=1S/C18H30FNO/c1-4-5-6-7-10-21-14-17-11-16(8-9-18(17)19)13-20-12-15(2)3/h8-9,11,15,20H,4-7,10,12-14H2,1-3H3
InChIKeyHFYUFJAREHPNKO-UHFFFAOYSA-N
MW295.44 g/mol
LogP4.67
Rot. Bonds11

About N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine

N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107457094) has the molecular formula C18H30FNO and a molecular weight of 295.44 g/mol. Its IUPAC name is N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107457094
Molecular FormulaC18H30FNO
Molecular Weight295.44 g/mol
Exact Mass295.23
IUPAC NameN-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCCCCCCOCc1cc(CNCC(C)C)ccc1F
InChIInChI=1S/C18H30FNO/c1-4-5-6-7-10-21-14-17-11-16(8-9-18(17)19)13-20-12-15(2)3/h8-9,11,15,20H,4-7,10,12-14H2,1-3H3
InChIKeyHFYUFJAREHPNKO-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
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-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 107457179
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[4-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 63492309
N-[[4-fluoro-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 107457069
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
2-methyl-N-[[3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62451172
N-[[4-fluoro-3-[2-(2-methylpropoxy)ethoxymethyl]phenyl]methyl]ethanamine
CID 107458028
N-[[4-fluoro-3-(2-methylpropoxymethyl)phenyl]methyl]propan-1-amine
CID 107456933
[2-fluoro-5-(heptoxymethyl)phenyl]methanamine
CID 107878945
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 107457094) is N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is CCCCCCOCc1cc(CNCC(C)C)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is HFYUFJAREHPNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30FNO/c1-4-5-6-7-10-21-14-17-11-16(8-9-18(17)19)13-20-12-15(2)3/h8-9,11,15,20H,4-7,10,12-14H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 295.44 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107457094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).