2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine

C17H28FNO — CID 104649200

IUPAC2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FNO/c1-3-11-19-14-16(6-4-5-12-20-2)13-15-7-9-17(18)10-8-15/h7-10,16,19H,3-6,11-14H2,1-2H3
InChIKeyARAWHYTWZRVRBG-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.80
Rot. Bonds11

About 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine

2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine (PubChem CID 104649200) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
PubChem CID104649200
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)Cc1ccc(F)cc1
InChIInChI=1S/C17H28FNO/c1-3-11-19-14-16(6-4-5-12-20-2)13-15-7-9-17(18)10-8-15/h7-10,16,19H,3-6,11-14H2,1-2H3
InChIKeyARAWHYTWZRVRBG-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.80
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

2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 62720076
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
2-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)heptan-1-amine
CID 63520998
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
CID 55083208
2-benzyl-N-propylheptan-1-amine
CID 63496184
1-[2-(bromomethyl)-5-methoxypentyl]-4-fluorobenzene
CID 66042083
2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol
CID 66060322
2-[(4-fluorophenyl)methyl]-N-methyldecan-1-amine
CID 63522242

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine (CID 104649200) is 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine is CCCNCC(CCCCOC)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine?
The InChIKey is ARAWHYTWZRVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-3-11-19-14-16(6-4-5-12-20-2)13-15-7-9-17(18)10-8-15/h7-10,16,19H,3-6,11-14H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine?
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine has a molecular weight of 281.42 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine is sourced from PubChem (CID 104649200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).