2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine

C17H28FNO — CID 79442641

IUPAC2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
SMILESCCCC(C)CC(CNCCOC)c1cccc(F)c1
InChIInChI=1S/C17H28FNO/c1-4-6-14(2)11-16(13-19-9-10-20-3)15-7-5-8-17(18)12-15/h5,7-8,12,14,16,19H,4,6,9-11,13H2,1-3H3
InChIKeyVUXXIBOYQICDCS-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.97
Rot. Bonds10

About 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine

2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine (PubChem CID 79442641) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
PubChem CID79442641
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine
SMILESCCCC(C)CC(CNCCOC)c1cccc(F)c1
InChIInChI=1S/C17H28FNO/c1-4-6-14(2)11-16(13-19-9-10-20-3)15-7-5-8-17(18)12-15/h5,7-8,12,14,16,19H,4,6,9-11,13H2,1-3H3
InChIKeyVUXXIBOYQICDCS-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
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-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
2-(3-fluorophenyl)-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 79432439
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
2-(3-fluorophenyl)-4-propoxy-N-propylbutan-1-amine
CID 106457125
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
2-(3-bromophenyl)-4-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 82929807
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
2-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053423
5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine (CID 79442641) is 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine is CCCC(C)CC(CNCCOC)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine?
The InChIKey is VUXXIBOYQICDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-4-6-14(2)11-16(13-19-9-10-20-3)15-7-5-8-17(18)12-15/h5,7-8,12,14,16,19H,4,6,9-11,13H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine?
2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine has a molecular weight of 281.41 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(2-methoxyethyl)-4-methylheptan-1-amine is sourced from PubChem (CID 79442641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).