N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine

C16H26FN — CID 105370909

IUPACN-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1cc(F)ccc1C
InChIInChI=1S/C16H26FN/c1-4-5-6-7-8-14(3)18-12-15-11-16(17)10-9-13(15)2/h9-11,14,18H,4-8,12H2,1-3H3
InChIKeyMGDHIZGYEGRLMQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.58
Rot. Bonds8

About N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine

N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine (PubChem CID 105370909) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
PubChem CID105370909
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCc1cc(F)ccc1C
InChIInChI=1S/C16H26FN/c1-4-5-6-7-8-14(3)18-12-15-11-16(17)10-9-13(15)2/h9-11,14,18H,4-8,12H2,1-3H3
InChIKeyMGDHIZGYEGRLMQ-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluoro-2-methylphenyl)methyl]hexan-2-amine
CID 62201141
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(5-fluoro-2-methylphenyl)-N-methyldecan-2-amine
CID 105377260
1-(5-fluoro-2-methylphenyl)-N-propylheptan-2-amine
CID 105377481
N-[(4-bromo-2-fluorophenyl)methyl]octan-2-amine
CID 43220783
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979
1-(2,5-difluorophenyl)-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 103943659
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
4-[(heptan-2-ylamino)methyl]benzene-1,3-diol
CID 43572707

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine (CID 105370909) is N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine is CCCCCCC(C)NCc1cc(F)ccc1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine?
The InChIKey is MGDHIZGYEGRLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-5-6-7-8-14(3)18-12-15-11-16(17)10-9-13(15)2/h9-11,14,18H,4-8,12H2,1-3H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine?
N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine has a molecular weight of 251.39 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]octan-2-amine is sourced from PubChem (CID 105370909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).